1-methyl-5-[(2-phenylpyrazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylic acid

C19H15N5O3 — CID 165415002

IUPAC1-methyl-5-[(2-phenylpyrazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1C(=O)Nc1ccc2cc(-c3ccccc3)nn2c1
InChIInChI=1S/C19H15N5O3/c1-23-17(15(10-20-23)19(26)27)18(25)21-13-7-8-14-9-16(22-24(14)11-13)12-5-3-2-4-6-12/h2-11H,1H3,(H,21,25)(H,26,27)
InChIKeyRNZOJWUYADMRCY-UHFFFAOYSA-N
MW361.36 g/mol
LogP2.69
Rot. Bonds4

About 1-methyl-5-[(2-phenylpyrazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylic acid

1-methyl-5-[(2-phenylpyrazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylic acid (PubChem CID 165415002) has the molecular formula C19H15N5O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is 1-methyl-5-[(2-phenylpyrazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-[(2-phenylpyrazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylic acid
PubChem CID165415002
Molecular FormulaC19H15N5O3
Molecular Weight361.36 g/mol
Exact Mass361.12
IUPAC Name1-methyl-5-[(2-phenylpyrazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1C(=O)Nc1ccc2cc(-c3ccccc3)nn2c1
InChIInChI=1S/C19H15N5O3/c1-23-17(15(10-20-23)19(26)27)18(25)21-13-7-8-14-9-16(22-24(14)11-13)12-5-3-2-4-6-12/h2-11H,1H3,(H,21,25)(H,26,27)
InChIKeyRNZOJWUYADMRCY-UHFFFAOYSA-N
XLogP2.69
TPSA101.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(2-phenylpyrazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-5-[(2-phenylpyrazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylic acid (CID 165415002) is 1-methyl-5-[(2-phenylpyrazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-5-[(2-phenylpyrazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-5-[(2-phenylpyrazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylic acid is Cn1ncc(C(=O)O)c1C(=O)Nc1ccc2cc(-c3ccccc3)nn2c1.
What is the InChIKey of 1-methyl-5-[(2-phenylpyrazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylic acid?
The InChIKey is RNZOJWUYADMRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3/c1-23-17(15(10-20-23)19(26)27)18(25)21-13-7-8-14-9-16(22-24(14)11-13)12-5-3-2-4-6-12/h2-11H,1H3,(H,21,25)(H,26,27).
What are the key properties of 1-methyl-5-[(2-phenylpyrazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylic acid?
1-methyl-5-[(2-phenylpyrazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylic acid has a molecular weight of 361.36 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(2-phenylpyrazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 165415002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).