5-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

C19H19ClN6O — CID 138993580

IUPAC5-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCc1cc(NC(=O)c2nc(N3CCCC3)ncc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C19H19ClN6O/c1-13-11-16(26(24-13)14-7-3-2-4-8-14)22-18(27)17-15(20)12-21-19(23-17)25-9-5-6-10-25/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,22,27)
InChIKeyXMYHVFCFTMRZPL-UHFFFAOYSA-N
MW382.86 g/mol
LogP3.48
Rot. Bonds4

About 5-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

5-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 138993580) has the molecular formula C19H19ClN6O and a molecular weight of 382.86 g/mol. Its IUPAC name is 5-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID138993580
Molecular FormulaC19H19ClN6O
Molecular Weight382.86 g/mol
Exact Mass382.13
IUPAC Name5-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCc1cc(NC(=O)c2nc(N3CCCC3)ncc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C19H19ClN6O/c1-13-11-16(26(24-13)14-7-3-2-4-8-14)22-18(27)17-15(20)12-21-19(23-17)25-9-5-6-10-25/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,22,27)
InChIKeyXMYHVFCFTMRZPL-UHFFFAOYSA-N
XLogP3.48
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.86
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide 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 5-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 138993580) is 5-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is Cc1cc(NC(=O)c2nc(N3CCCC3)ncc2Cl)n(-c2ccccc2)n1.
What is the InChIKey of 5-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is XMYHVFCFTMRZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O/c1-13-11-16(26(24-13)14-7-3-2-4-8-14)22-18(27)17-15(20)12-21-19(23-17)25-9-5-6-10-25/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,22,27).
What are the key properties of 5-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
5-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 382.86 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 138993580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).