N-cyclohexyl-6-methyl-2-(1H-pyrazol-4-yl)pyrimidine-4-carboxamide

C15H19N5O — CID 168879388

IUPACN-cyclohexyl-6-methyl-2-(1H-pyrazol-4-yl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCCC2)nc(-c2cn[nH]c2)n1
InChIInChI=1S/C15H19N5O/c1-10-7-13(15(21)19-12-5-3-2-4-6-12)20-14(18-10)11-8-16-17-9-11/h7-9,12H,2-6H2,1H3,(H,16,17)(H,19,21)
InChIKeyBSMWUKNIEXROEC-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.24
Rot. Bonds3

About N-cyclohexyl-6-methyl-2-(1H-pyrazol-4-yl)pyrimidine-4-carboxamide

N-cyclohexyl-6-methyl-2-(1H-pyrazol-4-yl)pyrimidine-4-carboxamide (PubChem CID 168879388) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-cyclohexyl-6-methyl-2-(1H-pyrazol-4-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-methyl-2-(1H-pyrazol-4-yl)pyrimidine-4-carboxamide
PubChem CID168879388
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-cyclohexyl-6-methyl-2-(1H-pyrazol-4-yl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCCC2)nc(-c2cn[nH]c2)n1
InChIInChI=1S/C15H19N5O/c1-10-7-13(15(21)19-12-5-3-2-4-6-12)20-14(18-10)11-8-16-17-9-11/h7-9,12H,2-6H2,1H3,(H,16,17)(H,19,21)
InChIKeyBSMWUKNIEXROEC-UHFFFAOYSA-N
XLogP2.24
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-methyl-2-(1H-pyrazol-4-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-6-methyl-2-(1H-pyrazol-4-yl)pyrimidine-4-carboxamide (CID 168879388) is N-cyclohexyl-6-methyl-2-(1H-pyrazol-4-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-methyl-2-(1H-pyrazol-4-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-6-methyl-2-(1H-pyrazol-4-yl)pyrimidine-4-carboxamide is Cc1cc(C(=O)NC2CCCCC2)nc(-c2cn[nH]c2)n1.
What is the InChIKey of N-cyclohexyl-6-methyl-2-(1H-pyrazol-4-yl)pyrimidine-4-carboxamide?
The InChIKey is BSMWUKNIEXROEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-10-7-13(15(21)19-12-5-3-2-4-6-12)20-14(18-10)11-8-16-17-9-11/h7-9,12H,2-6H2,1H3,(H,16,17)(H,19,21).
What are the key properties of N-cyclohexyl-6-methyl-2-(1H-pyrazol-4-yl)pyrimidine-4-carboxamide?
N-cyclohexyl-6-methyl-2-(1H-pyrazol-4-yl)pyrimidine-4-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-methyl-2-(1H-pyrazol-4-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 168879388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).