N-cyclohexyl-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C23H28N4O — CID 3901149

IUPACN-cyclohexyl-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCc1c(C(=O)NC2CCCCC2)cnc2c(-c3ccccc3)c(C)nn12
InChIInChI=1S/C23H28N4O/c1-3-10-20-19(23(28)25-18-13-8-5-9-14-18)15-24-22-21(16(2)26-27(20)22)17-11-6-4-7-12-17/h4,6-7,11-12,15,18H,3,5,8-10,13-14H2,1-2H3,(H,25,28)
InChIKeyKJTDWJQLJWNISR-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.72
Rot. Bonds5

About N-cyclohexyl-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide

N-cyclohexyl-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 3901149) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is N-cyclohexyl-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID3901149
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC NameN-cyclohexyl-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCc1c(C(=O)NC2CCCCC2)cnc2c(-c3ccccc3)c(C)nn12
InChIInChI=1S/C23H28N4O/c1-3-10-20-19(23(28)25-18-13-8-5-9-14-18)15-24-22-21(16(2)26-27(20)22)17-11-6-4-7-12-17/h4,6-7,11-12,15,18H,3,5,8-10,13-14H2,1-2H3,(H,25,28)
InChIKeyKJTDWJQLJWNISR-UHFFFAOYSA-N
XLogP4.72
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 811868
N-cyclohexyl-7-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 3422822
N-[2-(dimethylamino)ethyl]-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 4024125
N-(3,4-dimethylphenyl)-7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 5009049
7-ethyl-2-methyl-3-phenyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 7356314
N-cyclohexyl-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 811833
(2,6-dimethylmorpholin-4-yl)-(7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 3603837
ethyl 1-(7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate
CID 4988814
2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 6946048
N-cyclohexyl-2-methyl-6-phenylpyridine-3-carboxamide
CID 3410229
N-[5-(diethylamino)pentan-2-yl]-7-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 4562038
1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide
CID 78874188

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclohexyl-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 3901149) is N-cyclohexyl-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide is CCCc1c(C(=O)NC2CCCCC2)cnc2c(-c3ccccc3)c(C)nn12.
What is the InChIKey of N-cyclohexyl-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is KJTDWJQLJWNISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-3-10-20-19(23(28)25-18-13-8-5-9-14-18)15-24-22-21(16(2)26-27(20)22)17-11-6-4-7-12-17/h4,6-7,11-12,15,18H,3,5,8-10,13-14H2,1-2H3,(H,25,28).
What are the key properties of N-cyclohexyl-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-cyclohexyl-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3901149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).