1-[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]pyrrole-3-carboxylic acid

C18H18N4O3 — CID 135355501

IUPAC1-[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]pyrrole-3-carboxylic acid
SMILESCn1cc(-c2cnn(CC3CC3)c2)c(-n2ccc(C(=O)O)c2)cc1=O
InChIInChI=1S/C18H18N4O3/c1-20-11-15(14-7-19-22(10-14)8-12-2-3-12)16(6-17(20)23)21-5-4-13(9-21)18(24)25/h4-7,9-12H,2-3,8H2,1H3,(H,24,25)
InChIKeyPBYGOIASWZDADD-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.15
Rot. Bonds5

About 1-[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]pyrrole-3-carboxylic acid

1-[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]pyrrole-3-carboxylic acid (PubChem CID 135355501) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 1-[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]pyrrole-3-carboxylic acid
PubChem CID135355501
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name1-[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]pyrrole-3-carboxylic acid
SMILESCn1cc(-c2cnn(CC3CC3)c2)c(-n2ccc(C(=O)O)c2)cc1=O
InChIInChI=1S/C18H18N4O3/c1-20-11-15(14-7-19-22(10-14)8-12-2-3-12)16(6-17(20)23)21-5-4-13(9-21)18(24)25/h4-7,9-12H,2-3,8H2,1H3,(H,24,25)
InChIKeyPBYGOIASWZDADD-UHFFFAOYSA-N
XLogP2.15
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]pyrrole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]pyrrole-3-carboxylic acid?
The IUPAC name of 1-[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]pyrrole-3-carboxylic acid (CID 135355501) is 1-[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]pyrrole-3-carboxylic acid.
What is the SMILES notation for 1-[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]pyrrole-3-carboxylic acid?
The canonical SMILES for 1-[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]pyrrole-3-carboxylic acid is Cn1cc(-c2cnn(CC3CC3)c2)c(-n2ccc(C(=O)O)c2)cc1=O.
What is the InChIKey of 1-[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]pyrrole-3-carboxylic acid?
The InChIKey is PBYGOIASWZDADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-20-11-15(14-7-19-22(10-14)8-12-2-3-12)16(6-17(20)23)21-5-4-13(9-21)18(24)25/h4-7,9-12H,2-3,8H2,1H3,(H,24,25).
What are the key properties of 1-[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]pyrrole-3-carboxylic acid?
1-[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]pyrrole-3-carboxylic acid has a molecular weight of 338.37 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]pyrrole-3-carboxylic acid is sourced from PubChem (CID 135355501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).