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

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Related Compounds

3-chloro-6-ethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)pyridine-2-carboxamide
CID 167792754
2-chloro-4-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 139009806
5-chloro-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 56507678
3,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 11791835
7-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-1H-indole-2-carboxamide
CID 108804103
5-chloro-N-(3-iodophenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 55736428
5-chloro-N-(2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 87028695
N-(4-carbamoyl-2-methylphenyl)-5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 47047164
(2R,3S)-3-[(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 124697860
5-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 55772981
2-chloro-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]benzamide
CID 27477336
2-chloro-3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 138993742

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).