5-chloro-2-propan-2-yl-N-(1H-pyrazol-5-yl)pyrimidine-4-carboxamide

C11H12ClN5O — CID 47466541

IUPAC5-chloro-2-propan-2-yl-N-(1H-pyrazol-5-yl)pyrimidine-4-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)Nc2ccn[nH]2)n1
InChIInChI=1S/C11H12ClN5O/c1-6(2)10-13-5-7(12)9(16-10)11(18)15-8-3-4-14-17-8/h3-6H,1-2H3,(H2,14,15,17,18)
InChIKeyOCELZZVVKHIIIY-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.23
Rot. Bonds3

About 5-chloro-2-propan-2-yl-N-(1H-pyrazol-5-yl)pyrimidine-4-carboxamide

5-chloro-2-propan-2-yl-N-(1H-pyrazol-5-yl)pyrimidine-4-carboxamide (PubChem CID 47466541) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is 5-chloro-2-propan-2-yl-N-(1H-pyrazol-5-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-propan-2-yl-N-(1H-pyrazol-5-yl)pyrimidine-4-carboxamide
PubChem CID47466541
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC Name5-chloro-2-propan-2-yl-N-(1H-pyrazol-5-yl)pyrimidine-4-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)Nc2ccn[nH]2)n1
InChIInChI=1S/C11H12ClN5O/c1-6(2)10-13-5-7(12)9(16-10)11(18)15-8-3-4-14-17-8/h3-6H,1-2H3,(H2,14,15,17,18)
InChIKeyOCELZZVVKHIIIY-UHFFFAOYSA-N
XLogP2.23
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-pyridinyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
CID 102674171
5-chloro-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 78928205
5-chloro-2-propan-2-yl-N-pyrazin-2-ylpyrimidine-4-carboxamide
CID 55032941
3-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527054
5-chloro-2-propan-2-yl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-4-carboxamide
CID 95784692
N-(4-carbamoylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
CID 136579417
5-chloro-N-pentan-3-yl-2-propan-2-ylpyrimidine-4-carboxamide
CID 47459112
5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 47459161
N'-acetyl-5-chloro-2-propan-2-ylpyrimidine-4-carbohydrazide
CID 62047155
5-chloro-N-[4-[(S)-methylsulfinyl]phenyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 96565908
N-(4-bromo-2-chlorophenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
CID 62022282
5-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 104818172

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-propan-2-yl-N-(1H-pyrazol-5-yl)pyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-2-propan-2-yl-N-(1H-pyrazol-5-yl)pyrimidine-4-carboxamide (CID 47466541) is 5-chloro-2-propan-2-yl-N-(1H-pyrazol-5-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-propan-2-yl-N-(1H-pyrazol-5-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-2-propan-2-yl-N-(1H-pyrazol-5-yl)pyrimidine-4-carboxamide is CC(C)c1ncc(Cl)c(C(=O)Nc2ccn[nH]2)n1.
What is the InChIKey of 5-chloro-2-propan-2-yl-N-(1H-pyrazol-5-yl)pyrimidine-4-carboxamide?
The InChIKey is OCELZZVVKHIIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c1-6(2)10-13-5-7(12)9(16-10)11(18)15-8-3-4-14-17-8/h3-6H,1-2H3,(H2,14,15,17,18).
What are the key properties of 5-chloro-2-propan-2-yl-N-(1H-pyrazol-5-yl)pyrimidine-4-carboxamide?
5-chloro-2-propan-2-yl-N-(1H-pyrazol-5-yl)pyrimidine-4-carboxamide has a molecular weight of 265.70 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-propan-2-yl-N-(1H-pyrazol-5-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 47466541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).