2-[3-amino-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid

C16H14N4O2 — CID 86725521

IUPAC2-[3-amino-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCc1ccc(-c2cc(N)nn2-c2cc(C(=O)O)ccn2)cc1
InChIInChI=1S/C16H14N4O2/c1-10-2-4-11(5-3-10)13-9-14(17)19-20(13)15-8-12(16(21)22)6-7-18-15/h2-9H,1H3,(H2,17,19)(H,21,22)
InChIKeyRARDAFAMJQBDBC-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.52
Rot. Bonds3

About 2-[3-amino-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid

2-[3-amino-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 86725521) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[3-amino-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-amino-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid
PubChem CID86725521
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name2-[3-amino-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCc1ccc(-c2cc(N)nn2-c2cc(C(=O)O)ccn2)cc1
InChIInChI=1S/C16H14N4O2/c1-10-2-4-11(5-3-10)13-9-14(17)19-20(13)15-8-12(16(21)22)6-7-18-15/h2-9H,1H3,(H2,17,19)(H,21,22)
InChIKeyRARDAFAMJQBDBC-UHFFFAOYSA-N
XLogP2.52
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ylamino)-benzoic acid
CID 743045
6-phenyl-1-[(pyridin-4-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 7064016
2-(5-p-tolyl-1H-pyrazol-1-yl)isonicotinic acid
CID 76901247
2-[5-(3-hydroxyphenyl)-1H-pyrazol-1-yl]pyridine-4-carboxylic acid
CID 76901620
7-(4-Fluorophenyl)pyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 4775471
2-[5-(4-bromophenyl)-1H-pyrazol-1-yl]pyridine-4-carboxylic acid
CID 86725517
US10040779, Example 1
CID 76282043
2-(5-(3-hydroxy-4-methylphenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 76901248
2-(5-(2,4-difluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 76901615
2-(5-(3-fluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 76901616
2-(5-(4-(methylsulfonyl)phenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 76901618
2-(5-phenyl-1H-pyrazol-1-yl)isonicotinic acid
CID 86725498

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[3-amino-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid (CID 86725521) is 2-[3-amino-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[3-amino-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[3-amino-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid is Cc1ccc(-c2cc(N)nn2-c2cc(C(=O)O)ccn2)cc1.
What is the InChIKey of 2-[3-amino-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The InChIKey is RARDAFAMJQBDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-10-2-4-11(5-3-10)13-9-14(17)19-20(13)15-8-12(16(21)22)6-7-18-15/h2-9H,1H3,(H2,17,19)(H,21,22).
What are the key properties of 2-[3-amino-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
2-[3-amino-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 86725521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).