5-chloro-2-pyrrolidin-1-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrimidine-4-carboxamide

C16H15ClN6OS — CID 55977487

IUPAC5-chloro-2-pyrrolidin-1-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrimidine-4-carboxamide
SMILESO=C(Nc1cc(-c2cccs2)[nH]n1)c1nc(N2CCCC2)ncc1Cl
InChIInChI=1S/C16H15ClN6OS/c17-10-9-18-16(23-5-1-2-6-23)20-14(10)15(24)19-13-8-11(21-22-13)12-4-3-7-25-12/h3-4,7-9H,1-2,5-6H2,(H2,19,21,22,24)
InChIKeyLNZDKDPSVMSSQZ-UHFFFAOYSA-N
MW374.86 g/mol
LogP3.43
Rot. Bonds4

About 5-chloro-2-pyrrolidin-1-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrimidine-4-carboxamide

5-chloro-2-pyrrolidin-1-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrimidine-4-carboxamide (PubChem CID 55977487) has the molecular formula C16H15ClN6OS and a molecular weight of 374.86 g/mol. Its IUPAC name is 5-chloro-2-pyrrolidin-1-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-pyrrolidin-1-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrimidine-4-carboxamide
PubChem CID55977487
Molecular FormulaC16H15ClN6OS
Molecular Weight374.86 g/mol
Exact Mass374.07
IUPAC Name5-chloro-2-pyrrolidin-1-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrimidine-4-carboxamide
SMILESO=C(Nc1cc(-c2cccs2)[nH]n1)c1nc(N2CCCC2)ncc1Cl
InChIInChI=1S/C16H15ClN6OS/c17-10-9-18-16(23-5-1-2-6-23)20-14(10)15(24)19-13-8-11(21-22-13)12-4-3-7-25-12/h3-4,7-9H,1-2,5-6H2,(H2,19,21,22,24)
InChIKeyLNZDKDPSVMSSQZ-UHFFFAOYSA-N
XLogP3.43
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.86
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-piperidin-1-yl-2-pyridinyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 78901118
N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 90544954
(3R)-3-[(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 124704765
5-chloro-N-(3-iodophenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 55736428
3-nitro-4-pyrrolidin-1-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
CID 52719477
N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,5-thiadiazole-3-carboxamide
CID 47343912
5-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 55772981
5-chloro-N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 55807381
5-chloro-2-pyrrolidin-1-yl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrimidine-4-carboxamide
CID 55773877
1-(4-chlorophenyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazole-4-carboxamide
CID 55977488
4-(2-oxopyrrolidin-1-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
CID 60551651
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 47046697

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-pyrrolidin-1-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-2-pyrrolidin-1-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrimidine-4-carboxamide (CID 55977487) is 5-chloro-2-pyrrolidin-1-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-pyrrolidin-1-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-2-pyrrolidin-1-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrimidine-4-carboxamide is O=C(Nc1cc(-c2cccs2)[nH]n1)c1nc(N2CCCC2)ncc1Cl.
What is the InChIKey of 5-chloro-2-pyrrolidin-1-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrimidine-4-carboxamide?
The InChIKey is LNZDKDPSVMSSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6OS/c17-10-9-18-16(23-5-1-2-6-23)20-14(10)15(24)19-13-8-11(21-22-13)12-4-3-7-25-12/h3-4,7-9H,1-2,5-6H2,(H2,19,21,22,24).
What are the key properties of 5-chloro-2-pyrrolidin-1-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrimidine-4-carboxamide?
5-chloro-2-pyrrolidin-1-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrimidine-4-carboxamide has a molecular weight of 374.86 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-pyrrolidin-1-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 55977487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).