2-tert-butyl-N-cyclohexyl-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

C24H30N4O2 — CID 46080012

IUPAC2-tert-butyl-N-cyclohexyl-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NC2CCCCC2)n2nc(C(C)(C)C)cc2n1
InChIInChI=1S/C24H30N4O2/c1-24(2,3)21-15-22-26-18(17-12-8-9-13-20(17)30-4)14-19(28(22)27-21)23(29)25-16-10-6-5-7-11-16/h8-9,12-16H,5-7,10-11H2,1-4H3,(H,25,29)
InChIKeyMVLHGPWCEPXAAT-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.76
Rot. Bonds4

About 2-tert-butyl-N-cyclohexyl-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

2-tert-butyl-N-cyclohexyl-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 46080012) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-tert-butyl-N-cyclohexyl-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-cyclohexyl-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID46080012
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name2-tert-butyl-N-cyclohexyl-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NC2CCCCC2)n2nc(C(C)(C)C)cc2n1
InChIInChI=1S/C24H30N4O2/c1-24(2,3)21-15-22-26-18(17-12-8-9-13-20(17)30-4)14-19(28(22)27-21)23(29)25-16-10-6-5-7-11-16/h8-9,12-16H,5-7,10-11H2,1-4H3,(H,25,29)
InChIKeyMVLHGPWCEPXAAT-UHFFFAOYSA-N
XLogP4.76
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-7-(2-methoxyphenyl)-N-(2-oxoazepan-3-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 46079587
2-tert-butyl-5-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079938
2-tert-butyl-N,5-bis(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079878
2-tert-butyl-5-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079914
2-tert-butyl-N-cyclohexyl-7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 42877236
N-butan-2-yl-2-tert-butyl-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079790
N-cycloheptyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109373996
2-tert-butyl-5-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079808
2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877364
ethyl 1-[2-tert-butyl-7-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperidine-4-carboxylate
CID 42877225
1-benzyl-N-cyclohexyl-3-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 9041373
2-tert-butyl-5-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46170481

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-cyclohexyl-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of 2-tert-butyl-N-cyclohexyl-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 46080012) is 2-tert-butyl-N-cyclohexyl-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-cyclohexyl-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for 2-tert-butyl-N-cyclohexyl-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is COc1ccccc1-c1cc(C(=O)NC2CCCCC2)n2nc(C(C)(C)C)cc2n1.
What is the InChIKey of 2-tert-butyl-N-cyclohexyl-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is MVLHGPWCEPXAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-24(2,3)21-15-22-26-18(17-12-8-9-13-20(17)30-4)14-19(28(22)27-21)23(29)25-16-10-6-5-7-11-16/h8-9,12-16H,5-7,10-11H2,1-4H3,(H,25,29).
What are the key properties of 2-tert-butyl-N-cyclohexyl-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
2-tert-butyl-N-cyclohexyl-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-cyclohexyl-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 46080012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).