N-cyclohexyl-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H24N4O3 — CID 42855267

IUPACN-cyclohexyl-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(-c2ccnc3c(C(=O)NC4CCCCC4)cnn23)cc1OC
InChIInChI=1S/C21H24N4O3/c1-27-18-9-8-14(12-19(18)28-2)17-10-11-22-20-16(13-23-25(17)20)21(26)24-15-6-4-3-5-7-15/h8-13,15H,3-7H2,1-2H3,(H,24,26)
InChIKeyKPYWBTJUKKBJEJ-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.48
Rot. Bonds5

About N-cyclohexyl-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclohexyl-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 42855267) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-cyclohexyl-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID42855267
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-cyclohexyl-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(-c2ccnc3c(C(=O)NC4CCCCC4)cnn23)cc1OC
InChIInChI=1S/C21H24N4O3/c1-27-18-9-8-14(12-19(18)28-2)17-10-11-22-20-16(13-23-25(17)20)21(26)24-15-6-4-3-5-7-15/h8-13,15H,3-7H2,1-2H3,(H,24,26)
InChIKeyKPYWBTJUKKBJEJ-UHFFFAOYSA-N
XLogP3.48
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-7-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 53109662
N-cyclohexyl-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46050171
7-(1,3-benzodioxol-5-yl)-N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42855325
7-(3,4-dimethoxyphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42855278
N-(4-hydroxycyclohexyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110895303
4-[[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 167400752
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46074679
7-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 30849672
N-cyclopentyl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide
CID 44590561
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
N-cyclooctyl-2,4,5-trimethoxybenzamide
CID 912719
7-(3,4-dimethoxyphenyl)-N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 167400913

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 42855267) is N-cyclohexyl-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(-c2ccnc3c(C(=O)NC4CCCCC4)cnn23)cc1OC.
What is the InChIKey of N-cyclohexyl-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KPYWBTJUKKBJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-27-18-9-8-14(12-19(18)28-2)17-10-11-22-20-16(13-23-25(17)20)21(26)24-15-6-4-3-5-7-15/h8-13,15H,3-7H2,1-2H3,(H,24,26).
What are the key properties of N-cyclohexyl-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclohexyl-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 42855267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).