dipotassium;tert-butyl N-[[1-(5-amino-3-chloro-2-pyridinyl)pyrazol-4-yl]methyl]carbamate;tert-butyl N-[[1-(3-chloro-5-nitro-2-pyridinyl)pyrazol-4-yl]methyl]carbamate;2,3-dichloro-5-nitropyridine;dichlorotin;hydride;oxido formate;1H-pyrazol-4-ylmethanamine

C38H45Cl6K2N15O11Sn — CID 157262771

IUPACdipotassium;tert-butyl N-[[1-(5-amino-3-chloro-2-pyridinyl)pyrazol-4-yl]methyl]carbamate;tert-butyl N-[[1-(3-chloro-5-nitro-2-pyridinyl)pyrazol-4-yl]methyl]carbamate;2,3-dichloro-5-nitropyridine;dichlorotin;hydride;oxido formate;1H-pyrazol-4-ylmethanamine
SMILESCC(C)(C)OC(=O)NCc1cnn(-c2ncc(N)cc2Cl)c1.CC(C)(C)OC(=O)NCc1cnn(-c2ncc([N+](=O)[O-])cc2Cl)c1.Cl[Sn]Cl.NCc1cn[nH]c1.O=CO[O-].O=[N+]([O-])c1cnc(Cl)c(Cl)c1.[H-].[K+].[K+]
InChIInChI=1S/C14H16ClN5O4.C14H18ClN5O2.C5H2Cl2N2O2.C4H7N3.CH2O3.2ClH.2K.Sn.H/c1-14(2,3)24-13(21)17-5-9-6-18-19(8-9)12-11(15)4-10(7-16-12)20(22)23;1-14(2,3)22-13(21)18-5-9-6-19-20(8-9)12-11(15)4-10(16)7-17-12;6-4-1-3(9(10)11)2-8-5(4)7;5-1-4-2-6-7-3-4;2-1-4-3;;;;;;/h4,6-8H,5H2,1-3H3,(H,17,21);4,6-8H,5,16H2,1-3H3,(H,18,21);1-2H;2-3H,1,5H2,(H,6,7);1,3H;2*1H;;;;/q;;;;;;;2*+1;+2;-1/p-3
InChIKeyAXNGTBAYHBLLHA-UHFFFAOYSA-K
MW1297.50 g/mol
LogP1.10
Rot. Bonds10

About dipotassium;tert-butyl N-[[1-(5-amino-3-chloro-2-pyridinyl)pyrazol-4-yl]methyl]carbamate;tert-butyl N-[[1-(3-chloro-5-nitro-2-pyridinyl)pyrazol-4-yl]methyl]carbamate;2,3-dichloro-5-nitropyridine;dichlorotin;hydride;oxido formate;1H-pyrazol-4-ylmethanamine

dipotassium;tert-butyl N-[[1-(5-amino-3-chloro-2-pyridinyl)pyrazol-4-yl]methyl]carbamate;tert-butyl N-[[1-(3-chloro-5-nitro-2-pyridinyl)pyrazol-4-yl]methyl]carbamate;2,3-dichloro-5-nitropyridine;dichlorotin;hydride;oxido formate;1H-pyrazol-4-ylmethanamine (PubChem CID 157262771) has the molecular formula C38H45Cl6K2N15O11Sn and a molecular weight of 1297.50 g/mol. Its IUPAC name is dipotassium;tert-butyl N-[[1-(5-amino-3-chloro-2-pyridinyl)pyrazol-4-yl]methyl]carbamate;tert-butyl N-[[1-(3-chloro-5-nitro-2-pyridinyl)pyrazol-4-yl]methyl]carbamate;2,3-dichloro-5-nitropyridine;dichlorotin;hydride;oxido formate;1H-pyrazol-4-ylmethanamine.

Molecular Properties

Compound Namedipotassium;tert-butyl N-[[1-(5-amino-3-chloro-2-pyridinyl)pyrazol-4-yl]methyl]carbamate;tert-butyl N-[[1-(3-chloro-5-nitro-2-pyridinyl)pyrazol-4-yl]methyl]carbamate;2,3-dichloro-5-nitropyridine;dichlorotin;hydride;oxido formate;1H-pyrazol-4-ylmethanamine
PubChem CID157262771
Molecular FormulaC38H45Cl6K2N15O11Sn
Molecular Weight1297.50 g/mol
Exact Mass1294.99
IUPAC Namedipotassium;tert-butyl N-[[1-(5-amino-3-chloro-2-pyridinyl)pyrazol-4-yl]methyl]carbamate;tert-butyl N-[[1-(3-chloro-5-nitro-2-pyridinyl)pyrazol-4-yl]methyl]carbamate;2,3-dichloro-5-nitropyridine;dichlorotin;hydride;oxido formate;1H-pyrazol-4-ylmethanamine
SMILESCC(C)(C)OC(=O)NCc1cnn(-c2ncc(N)cc2Cl)c1.CC(C)(C)OC(=O)NCc1cnn(-c2ncc([N+](=O)[O-])cc2Cl)c1.Cl[Sn]Cl.NCc1cn[nH]c1.O=CO[O-].O=[N+]([O-])c1cnc(Cl)c(Cl)c1.[H-].[K+].[K+]
InChIInChI=1S/C14H16ClN5O4.C14H18ClN5O2.C5H2Cl2N2O2.C4H7N3.CH2O3.2ClH.2K.Sn.H/c1-14(2,3)24-13(21)17-5-9-6-18-19(8-9)12-11(15)4-10(7-16-12)20(22)23;1-14(2,3)22-13(21)18-5-9-6-19-20(8-9)12-11(15)4-10(16)7-17-12;6-4-1-3(9(10)11)2-8-5(4)7;5-1-4-2-6-7-3-4;2-1-4-3;;;;;;/h4,6-8H,5H2,1-3H3,(H,17,21);4,6-8H,5,16H2,1-3H3,(H,18,21);1-2H;2-3H,1,5H2,(H,6,7);1,3H;2*1H;;;;/q;;;;;;;2*+1;+2;-1/p-3
InChIKeyAXNGTBAYHBLLHA-UHFFFAOYSA-K
XLogP1.10
TPSA367.33 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds10
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001297.50
LogP ≤ 51.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze dipotassium;tert-butyl N-[[1-(5-amino-3-chloro-2-pyridinyl)pyrazol-4-yl]methyl]carbamate;tert-butyl N-[[1-(3-chloro-5-nitro-2-pyridinyl)pyrazol-4-yl]methyl]carbamate;2,3-dichloro-5-nitropyridine;dichlorotin;hydride;oxido formate;1H-pyrazol-4-ylmethanamine with MolForge

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Related Compounds

tert-butyl N-[[6-(4-chloropyrazol-1-yl)-3-pyridinyl]methyl]carbamate;2-chloro-5-isocyanopyridine;4-chloro-1H-pyrazole;2-(4-chloropyrazol-1-yl)-5-isocyanopyridine;[6-(4-chloropyrazol-1-yl)-3-pyridinyl]methanamine
CID 157492367
cesium;tert-butyl N-[[6-(4-chloropyrazol-1-yl)-3-pyridinyl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-chloro-5-isocyanopyridine;4-chloro-1H-pyrazole;2-(4-chloropyrazol-1-yl)-5-isocyanopyridine;[6-(4-chloropyrazol-1-yl)-3-pyridinyl]methanamine;oxido formate;hydrochloride
CID 157877217

Frequently Asked Questions

What is the IUPAC name of dipotassium;tert-butyl N-[[1-(5-amino-3-chloro-2-pyridinyl)pyrazol-4-yl]methyl]carbamate;tert-butyl N-[[1-(3-chloro-5-nitro-2-pyridinyl)pyrazol-4-yl]methyl]carbamate;2,3-dichloro-5-nitropyridine;dichlorotin;hydride;oxido formate;1H-pyrazol-4-ylmethanamine?
The IUPAC name of dipotassium;tert-butyl N-[[1-(5-amino-3-chloro-2-pyridinyl)pyrazol-4-yl]methyl]carbamate;tert-butyl N-[[1-(3-chloro-5-nitro-2-pyridinyl)pyrazol-4-yl]methyl]carbamate;2,3-dichloro-5-nitropyridine;dichlorotin;hydride;oxido formate;1H-pyrazol-4-ylmethanamine (CID 157262771) is dipotassium;tert-butyl N-[[1-(5-amino-3-chloro-2-pyridinyl)pyrazol-4-yl]methyl]carbamate;tert-butyl N-[[1-(3-chloro-5-nitro-2-pyridinyl)pyrazol-4-yl]methyl]carbamate;2,3-dichloro-5-nitropyridine;dichlorotin;hydride;oxido formate;1H-pyrazol-4-ylmethanamine.
What is the SMILES notation for dipotassium;tert-butyl N-[[1-(5-amino-3-chloro-2-pyridinyl)pyrazol-4-yl]methyl]carbamate;tert-butyl N-[[1-(3-chloro-5-nitro-2-pyridinyl)pyrazol-4-yl]methyl]carbamate;2,3-dichloro-5-nitropyridine;dichlorotin;hydride;oxido formate;1H-pyrazol-4-ylmethanamine?
The canonical SMILES for dipotassium;tert-butyl N-[[1-(5-amino-3-chloro-2-pyridinyl)pyrazol-4-yl]methyl]carbamate;tert-butyl N-[[1-(3-chloro-5-nitro-2-pyridinyl)pyrazol-4-yl]methyl]carbamate;2,3-dichloro-5-nitropyridine;dichlorotin;hydride;oxido formate;1H-pyrazol-4-ylmethanamine is CC(C)(C)OC(=O)NCc1cnn(-c2ncc(N)cc2Cl)c1.CC(C)(C)OC(=O)NCc1cnn(-c2ncc([N+](=O)[O-])cc2Cl)c1.Cl[Sn]Cl.NCc1cn[nH]c1.O=CO[O-].O=[N+]([O-])c1cnc(Cl)c(Cl)c1.[H-].[K+].[K+].
What is the InChIKey of dipotassium;tert-butyl N-[[1-(5-amino-3-chloro-2-pyridinyl)pyrazol-4-yl]methyl]carbamate;tert-butyl N-[[1-(3-chloro-5-nitro-2-pyridinyl)pyrazol-4-yl]methyl]carbamate;2,3-dichloro-5-nitropyridine;dichlorotin;hydride;oxido formate;1H-pyrazol-4-ylmethanamine?
The InChIKey is AXNGTBAYHBLLHA-UHFFFAOYSA-K. The full InChI is InChI=1S/C14H16ClN5O4.C14H18ClN5O2.C5H2Cl2N2O2.C4H7N3.CH2O3.2ClH.2K.Sn.H/c1-14(2,3)24-13(21)17-5-9-6-18-19(8-9)12-11(15)4-10(7-16-12)20(22)23;1-14(2,3)22-13(21)18-5-9-6-19-20(8-9)12-11(15)4-10(16)7-17-12;6-4-1-3(9(10)11)2-8-5(4)7;5-1-4-2-6-7-3-4;2-1-4-3;;;;;;/h4,6-8H,5H2,1-3H3,(H,17,21);4,6-8H,5,16H2,1-3H3,(H,18,21);1-2H;2-3H,1,5H2,(H,6,7);1,3H;2*1H;;;;/q;;;;;;;2*+1;+2;-1/p-3.
What are the key properties of dipotassium;tert-butyl N-[[1-(5-amino-3-chloro-2-pyridinyl)pyrazol-4-yl]methyl]carbamate;tert-butyl N-[[1-(3-chloro-5-nitro-2-pyridinyl)pyrazol-4-yl]methyl]carbamate;2,3-dichloro-5-nitropyridine;dichlorotin;hydride;oxido formate;1H-pyrazol-4-ylmethanamine?
dipotassium;tert-butyl N-[[1-(5-amino-3-chloro-2-pyridinyl)pyrazol-4-yl]methyl]carbamate;tert-butyl N-[[1-(3-chloro-5-nitro-2-pyridinyl)pyrazol-4-yl]methyl]carbamate;2,3-dichloro-5-nitropyridine;dichlorotin;hydride;oxido formate;1H-pyrazol-4-ylmethanamine has a molecular weight of 1297.50 g/mol, XLogP of 1.10, 10 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;tert-butyl N-[[1-(5-amino-3-chloro-2-pyridinyl)pyrazol-4-yl]methyl]carbamate;tert-butyl N-[[1-(3-chloro-5-nitro-2-pyridinyl)pyrazol-4-yl]methyl]carbamate;2,3-dichloro-5-nitropyridine;dichlorotin;hydride;oxido formate;1H-pyrazol-4-ylmethanamine is sourced from PubChem (CID 157262771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).