tert-butyl 5-methyl-3-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]carbamoylamino]pyrazole-1-carboxylate

C19H28N6O5 — CID 12073837

IUPACtert-butyl 5-methyl-3-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]carbamoylamino]pyrazole-1-carboxylate
SMILESCc1cc(NC(=O)Nc2cc(C)n(C(=O)OC(C)(C)C)n2)nn1C(=O)OC(C)(C)C
InChIInChI=1S/C19H28N6O5/c1-11-9-13(22-24(11)16(27)29-18(3,4)5)20-15(26)21-14-10-12(2)25(23-14)17(28)30-19(6,7)8/h9-10H,1-8H3,(H2,20,21,22,23,26)
InChIKeyDUSPTDIHHHBIKO-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.91
Rot. Bonds2

About tert-butyl 5-methyl-3-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]carbamoylamino]pyrazole-1-carboxylate

tert-butyl 5-methyl-3-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]carbamoylamino]pyrazole-1-carboxylate (PubChem CID 12073837) has the molecular formula C19H28N6O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is tert-butyl 5-methyl-3-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]carbamoylamino]pyrazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-methyl-3-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]carbamoylamino]pyrazole-1-carboxylate
PubChem CID12073837
Molecular FormulaC19H28N6O5
Molecular Weight420.47 g/mol
Exact Mass420.21
IUPAC Nametert-butyl 5-methyl-3-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]carbamoylamino]pyrazole-1-carboxylate
SMILESCc1cc(NC(=O)Nc2cc(C)n(C(=O)OC(C)(C)C)n2)nn1C(=O)OC(C)(C)C
InChIInChI=1S/C19H28N6O5/c1-11-9-13(22-24(11)16(27)29-18(3,4)5)20-15(26)21-14-10-12(2)25(23-14)17(28)30-19(6,7)8/h9-10H,1-8H3,(H2,20,21,22,23,26)
InChIKeyDUSPTDIHHHBIKO-UHFFFAOYSA-N
XLogP3.91
TPSA129.37 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze tert-butyl 5-methyl-3-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]carbamoylamino]pyrazole-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 5-amino-3-methyl-1H-pyrazole-1-carboxylate
CID 56972293
tert-butyl 3-amino-5-methyl-1H-pyrazole-1-carboxylate
CID 11321537
1,3-bis(1,3-dimethyl-1H-pyrazol-5-yl)urea
CID 45792257
Tert-butyl 5-methyl-3-[[2-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]-2-oxoacetyl]amino]pyrazole-1-carboxylate
CID 11339843
Tert-butyl 3-[[2,2-dimethyl-3-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]-3-oxopropanoyl]amino]-5-methylpyrazole-1-carboxylate
CID 12073838
tert-Butyl 3-(bis(tert-butoxycarbonyl)amino)-5-methyl-1H-pyrazole-1-carboxylate
CID 59363918
Tert-butyl 3-[(3-amino-2,2-dimethyl-3-oxopropanoyl)-[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]-5-methylpyrazole-1-carboxylate
CID 69689148
tert-butyl N-(1,5-dimethylpyrazol-3-yl)carbamate
CID 70641731
(2,5-dimethyl-2H-pyrazol-3-yl)-carbamic acid tert-butyl ester
CID 107860321
1,3-Bis(1,5-dimethylpyrazol-3-yl)urea
CID 121387046
4,6-bis(5-amino-3-methylpyrazol-1-yl)-1H-1,3,5-triazin-2-one
CID 136044257
tert-butyl 5-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,5-trimethyl-1H-pyrimidin-6-yl)amino]pyrazole-1-carboxylate
CID 144548230

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-methyl-3-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]carbamoylamino]pyrazole-1-carboxylate?
The IUPAC name of tert-butyl 5-methyl-3-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]carbamoylamino]pyrazole-1-carboxylate (CID 12073837) is tert-butyl 5-methyl-3-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]carbamoylamino]pyrazole-1-carboxylate.
What is the SMILES notation for tert-butyl 5-methyl-3-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]carbamoylamino]pyrazole-1-carboxylate?
The canonical SMILES for tert-butyl 5-methyl-3-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]carbamoylamino]pyrazole-1-carboxylate is Cc1cc(NC(=O)Nc2cc(C)n(C(=O)OC(C)(C)C)n2)nn1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 5-methyl-3-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]carbamoylamino]pyrazole-1-carboxylate?
The InChIKey is DUSPTDIHHHBIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O5/c1-11-9-13(22-24(11)16(27)29-18(3,4)5)20-15(26)21-14-10-12(2)25(23-14)17(28)30-19(6,7)8/h9-10H,1-8H3,(H2,20,21,22,23,26).
What are the key properties of tert-butyl 5-methyl-3-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]carbamoylamino]pyrazole-1-carboxylate?
tert-butyl 5-methyl-3-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]carbamoylamino]pyrazole-1-carboxylate has a molecular weight of 420.47 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-methyl-3-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]carbamoylamino]pyrazole-1-carboxylate is sourced from PubChem (CID 12073837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).