N-cyclohexyl-5-(4-methoxyphenyl)-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C24H32N4O3 — CID 71172126

IUPACN-cyclohexyl-5-(4-methoxyphenyl)-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOc1ccc(N2C(=O)c3cc(C(C)C)nn3CC2(C)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C24H32N4O3/c1-16(2)20-14-21-22(29)28(18-10-12-19(31-4)13-11-18)24(3,15-27(21)26-20)23(30)25-17-8-6-5-7-9-17/h10-14,16-17H,5-9,15H2,1-4H3,(H,25,30)
InChIKeyURMJYJYFHXAPOW-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.88
Rot. Bonds5

About N-cyclohexyl-5-(4-methoxyphenyl)-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

N-cyclohexyl-5-(4-methoxyphenyl)-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 71172126) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-cyclohexyl-5-(4-methoxyphenyl)-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(4-methoxyphenyl)-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID71172126
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN-cyclohexyl-5-(4-methoxyphenyl)-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOc1ccc(N2C(=O)c3cc(C(C)C)nn3CC2(C)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C24H32N4O3/c1-16(2)20-14-21-22(29)28(18-10-12-19(31-4)13-11-18)24(3,15-27(21)26-20)23(30)25-17-8-6-5-7-9-17/h10-14,16-17H,5-9,15H2,1-4H3,(H,25,30)
InChIKeyURMJYJYFHXAPOW-UHFFFAOYSA-N
XLogP3.88
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(4-methoxyphenyl)-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of N-cyclohexyl-5-(4-methoxyphenyl)-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 71172126) is N-cyclohexyl-5-(4-methoxyphenyl)-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-(4-methoxyphenyl)-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-5-(4-methoxyphenyl)-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is COc1ccc(N2C(=O)c3cc(C(C)C)nn3CC2(C)C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-5-(4-methoxyphenyl)-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is URMJYJYFHXAPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-16(2)20-14-21-22(29)28(18-10-12-19(31-4)13-11-18)24(3,15-27(21)26-20)23(30)25-17-8-6-5-7-9-17/h10-14,16-17H,5-9,15H2,1-4H3,(H,25,30).
What are the key properties of N-cyclohexyl-5-(4-methoxyphenyl)-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
N-cyclohexyl-5-(4-methoxyphenyl)-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(4-methoxyphenyl)-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 71172126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).