3-chloro-N-(5-methyl-1-phenylpyrazol-4-yl)-5-nitropyridin-2-amine

C15H12ClN5O2 — CID 133387375

IUPAC3-chloro-N-(5-methyl-1-phenylpyrazol-4-yl)-5-nitropyridin-2-amine
SMILESCc1c(Nc2ncc([N+](=O)[O-])cc2Cl)cnn1-c1ccccc1
InChIInChI=1S/C15H12ClN5O2/c1-10-14(9-18-20(10)11-5-3-2-4-6-11)19-15-13(16)7-12(8-17-15)21(22)23/h2-9H,1H3,(H,17,19)
InChIKeyABWJAVKSKRQRAF-UHFFFAOYSA-N
MW329.75 g/mol
LogP3.88
Rot. Bonds4

About 3-chloro-N-(5-methyl-1-phenylpyrazol-4-yl)-5-nitropyridin-2-amine

3-chloro-N-(5-methyl-1-phenylpyrazol-4-yl)-5-nitropyridin-2-amine (PubChem CID 133387375) has the molecular formula C15H12ClN5O2 and a molecular weight of 329.75 g/mol. Its IUPAC name is 3-chloro-N-(5-methyl-1-phenylpyrazol-4-yl)-5-nitropyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(5-methyl-1-phenylpyrazol-4-yl)-5-nitropyridin-2-amine
PubChem CID133387375
Molecular FormulaC15H12ClN5O2
Molecular Weight329.75 g/mol
Exact Mass329.07
IUPAC Name3-chloro-N-(5-methyl-1-phenylpyrazol-4-yl)-5-nitropyridin-2-amine
SMILESCc1c(Nc2ncc([N+](=O)[O-])cc2Cl)cnn1-c1ccccc1
InChIInChI=1S/C15H12ClN5O2/c1-10-14(9-18-20(10)11-5-3-2-4-6-11)19-15-13(16)7-12(8-17-15)21(22)23/h2-9H,1H3,(H,17,19)
InChIKeyABWJAVKSKRQRAF-UHFFFAOYSA-N
XLogP3.88
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.75
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-3-nitropyridin-2-amine
CID 133397179
N-(2-chlorophenyl)-3,5-dinitropyridin-2-amine
CID 2837278
N-(5-methyl-1-phenylpyrazol-4-yl)quinazolin-4-amine
CID 133387317
N-(3-chloro-5-nitro-2-pyridinyl)-2-ethyl-3,4-dihydro-1H-isoquinolin-5-amine
CID 133377193
N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-5-nitropyridin-2-amine
CID 133387431
N-[3-(benzylsulfinylmethyl)phenyl]-3-chloro-5-nitropyridin-2-amine
CID 133304591
4-[[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]amino]-3-nitrobenzenesulfonamide
CID 133397206
N-(4-chloro-3-nitrophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108804176
3-chloro-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-5-nitropyridin-2-amine
CID 133449211
N-(4-chloro-2-nitrophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108804190
N-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine
CID 90988497
3-chloro-N-(1-methylcyclobutyl)-5-nitropyridin-2-amine
CID 103847594

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-methyl-1-phenylpyrazol-4-yl)-5-nitropyridin-2-amine?
The IUPAC name of 3-chloro-N-(5-methyl-1-phenylpyrazol-4-yl)-5-nitropyridin-2-amine (CID 133387375) is 3-chloro-N-(5-methyl-1-phenylpyrazol-4-yl)-5-nitropyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(5-methyl-1-phenylpyrazol-4-yl)-5-nitropyridin-2-amine?
The canonical SMILES for 3-chloro-N-(5-methyl-1-phenylpyrazol-4-yl)-5-nitropyridin-2-amine is Cc1c(Nc2ncc([N+](=O)[O-])cc2Cl)cnn1-c1ccccc1.
What is the InChIKey of 3-chloro-N-(5-methyl-1-phenylpyrazol-4-yl)-5-nitropyridin-2-amine?
The InChIKey is ABWJAVKSKRQRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O2/c1-10-14(9-18-20(10)11-5-3-2-4-6-11)19-15-13(16)7-12(8-17-15)21(22)23/h2-9H,1H3,(H,17,19).
What are the key properties of 3-chloro-N-(5-methyl-1-phenylpyrazol-4-yl)-5-nitropyridin-2-amine?
3-chloro-N-(5-methyl-1-phenylpyrazol-4-yl)-5-nitropyridin-2-amine has a molecular weight of 329.75 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-methyl-1-phenylpyrazol-4-yl)-5-nitropyridin-2-amine is sourced from PubChem (CID 133387375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).