3-[(5-methyl-3-phenyl-1H-pyrazol-4-yl)amino]pyridine-4-carboxylic acid

C16H14N4O2 — CID 118961751

IUPAC3-[(5-methyl-3-phenyl-1H-pyrazol-4-yl)amino]pyridine-4-carboxylic acid
SMILESCc1[nH]nc(-c2ccccc2)c1Nc1cnccc1C(=O)O
InChIInChI=1S/C16H14N4O2/c1-10-14(15(20-19-10)11-5-3-2-4-6-11)18-13-9-17-8-7-12(13)16(21)22/h2-9,18H,1H3,(H,19,20)(H,21,22)
InChIKeyDKNIJTYTHABQQY-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.22
Rot. Bonds4

About 3-[(5-methyl-3-phenyl-1H-pyrazol-4-yl)amino]pyridine-4-carboxylic acid

3-[(5-methyl-3-phenyl-1H-pyrazol-4-yl)amino]pyridine-4-carboxylic acid (PubChem CID 118961751) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-[(5-methyl-3-phenyl-1H-pyrazol-4-yl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(5-methyl-3-phenyl-1H-pyrazol-4-yl)amino]pyridine-4-carboxylic acid
PubChem CID118961751
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name3-[(5-methyl-3-phenyl-1H-pyrazol-4-yl)amino]pyridine-4-carboxylic acid
SMILESCc1[nH]nc(-c2ccccc2)c1Nc1cnccc1C(=O)O
InChIInChI=1S/C16H14N4O2/c1-10-14(15(20-19-10)11-5-3-2-4-6-11)18-13-9-17-8-7-12(13)16(21)22/h2-9,18H,1H3,(H,19,20)(H,21,22)
InChIKeyDKNIJTYTHABQQY-UHFFFAOYSA-N
XLogP3.22
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-quinoxalin-2-yl)-1H-pyrazol-3-yl]-benzoic acid
CID 10690943
US10040779, Example 1
CID 76282043
4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)benzoic acid
CID 45487437
3-(4-Phenylbutylamino)pyridine-4-carboxylic acid
CID 71765996
US10040779, Example 57
CID 76283756
1-Methyl-5-[(2-phenylpyrazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylic acid
CID 165415002
US10174026, Example 2
CID 86280871
5-methyl-4-[(3-pyridin-4-ylphenyl)methyl]-1H-pyrazole-3-carboxylic acid
CID 71455285
5-methyl-4-[(3-pyridin-3-ylphenyl)methyl]-1H-pyrazole-3-carboxylic acid
CID 71458925
3-(1-Phenylethylamino)pyridine-4-carboxylic acid
CID 81750712
3-(1H-pyrazol-5-ylmethylamino)pyridine-4-carboxylic acid
CID 127030808
3-(2-Phenylethylamino)pyridine-4-carboxylic acid
CID 71767872

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-3-phenyl-1H-pyrazol-4-yl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(5-methyl-3-phenyl-1H-pyrazol-4-yl)amino]pyridine-4-carboxylic acid (CID 118961751) is 3-[(5-methyl-3-phenyl-1H-pyrazol-4-yl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(5-methyl-3-phenyl-1H-pyrazol-4-yl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(5-methyl-3-phenyl-1H-pyrazol-4-yl)amino]pyridine-4-carboxylic acid is Cc1[nH]nc(-c2ccccc2)c1Nc1cnccc1C(=O)O.
What is the InChIKey of 3-[(5-methyl-3-phenyl-1H-pyrazol-4-yl)amino]pyridine-4-carboxylic acid?
The InChIKey is DKNIJTYTHABQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-10-14(15(20-19-10)11-5-3-2-4-6-11)18-13-9-17-8-7-12(13)16(21)22/h2-9,18H,1H3,(H,19,20)(H,21,22).
What are the key properties of 3-[(5-methyl-3-phenyl-1H-pyrazol-4-yl)amino]pyridine-4-carboxylic acid?
3-[(5-methyl-3-phenyl-1H-pyrazol-4-yl)amino]pyridine-4-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 3.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-3-phenyl-1H-pyrazol-4-yl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 118961751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).