5-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid

C12H13ClN4O2 — CID 106034629

IUPAC5-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid
SMILESCc1c(CNc2cc(C(=O)O)c(Cl)cn2)cnn1C
InChIInChI=1S/C12H13ClN4O2/c1-7-8(5-16-17(7)2)4-14-11-3-9(12(18)19)10(13)6-15-11/h3,5-6H,4H2,1-2H3,(H,14,15)(H,18,19)
InChIKeyMAQHASSOLKILJP-UHFFFAOYSA-N
MW280.72 g/mol
LogP2.09
Rot. Bonds4

About 5-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid

5-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid (PubChem CID 106034629) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 5-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid
PubChem CID106034629
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC Name5-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid
SMILESCc1c(CNc2cc(C(=O)O)c(Cl)cn2)cnn1C
InChIInChI=1S/C12H13ClN4O2/c1-7-8(5-16-17(7)2)4-14-11-3-9(12(18)19)10(13)6-15-11/h3,5-6H,4H2,1-2H3,(H,14,15)(H,18,19)
InChIKeyMAQHASSOLKILJP-UHFFFAOYSA-N
XLogP2.09
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-4-carboxamide
CID 106049955
2-chloro-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzoic acid
CID 106042702
5-chloro-6-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylic acid
CID 106034383
5-chloro-2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114920056
5-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid
CID 114125776
3-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid
CID 106042704
1-(4,5-dichloro-2-pyridinyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
CID 100666319
4-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,3-difluorobenzoic acid
CID 106042688
5-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-fluorobenzoic acid
CID 79578811
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 114139841
5-chloro-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-4-carboxylic acid
CID 102906562
5-chloro-2-[2-(1-methylimidazol-2-yl)ethylamino]pyridine-4-carboxylic acid
CID 114919507

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid (CID 106034629) is 5-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid is Cc1c(CNc2cc(C(=O)O)c(Cl)cn2)cnn1C.
What is the InChIKey of 5-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid?
The InChIKey is MAQHASSOLKILJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-7-8(5-16-17(7)2)4-14-11-3-9(12(18)19)10(13)6-15-11/h3,5-6H,4H2,1-2H3,(H,14,15)(H,18,19).
What are the key properties of 5-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid?
5-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid has a molecular weight of 280.72 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 106034629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).