N-[1-(4-methylphenyl)-3-(1-pentan-2-ylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C27H33N7O — CID 66556627

IUPACN-[1-(4-methylphenyl)-3-(1-pentan-2-ylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCC(C)N1CCC(c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(C)cc3)n2)CC1
InChIInChI=1S/C27H33N7O/c1-4-6-20(3)32-15-11-21(12-16-32)24-17-25(34(31-24)22-9-7-19(2)8-10-22)30-27(35)23-18-29-33-14-5-13-28-26(23)33/h5,7-10,13-14,17-18,20-21H,4,6,11-12,15-16H2,1-3H3,(H,30,35)
InChIKeyGBBBRGOAYWIKEL-UHFFFAOYSA-N
MW471.61 g/mol
LogP4.84
Rot. Bonds7

About N-[1-(4-methylphenyl)-3-(1-pentan-2-ylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-(4-methylphenyl)-3-(1-pentan-2-ylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66556627) has the molecular formula C27H33N7O and a molecular weight of 471.61 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)-3-(1-pentan-2-ylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)-3-(1-pentan-2-ylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66556627
Molecular FormulaC27H33N7O
Molecular Weight471.61 g/mol
Exact Mass471.27
IUPAC NameN-[1-(4-methylphenyl)-3-(1-pentan-2-ylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCC(C)N1CCC(c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(C)cc3)n2)CC1
InChIInChI=1S/C27H33N7O/c1-4-6-20(3)32-15-11-21(12-16-32)24-17-25(34(31-24)22-9-7-19(2)8-10-22)30-27(35)23-18-29-33-14-5-13-28-26(23)33/h5,7-10,13-14,17-18,20-21H,4,6,11-12,15-16H2,1-3H3,(H,30,35)
InChIKeyGBBBRGOAYWIKEL-UHFFFAOYSA-N
XLogP4.84
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.61
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)-3-(1-pentan-2-ylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(4-methylphenyl)-3-(1-pentan-2-ylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66556627) is N-[1-(4-methylphenyl)-3-(1-pentan-2-ylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-methylphenyl)-3-(1-pentan-2-ylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(4-methylphenyl)-3-(1-pentan-2-ylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCCC(C)N1CCC(c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(C)cc3)n2)CC1.
What is the InChIKey of N-[1-(4-methylphenyl)-3-(1-pentan-2-ylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GBBBRGOAYWIKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O/c1-4-6-20(3)32-15-11-21(12-16-32)24-17-25(34(31-24)22-9-7-19(2)8-10-22)30-27(35)23-18-29-33-14-5-13-28-26(23)33/h5,7-10,13-14,17-18,20-21H,4,6,11-12,15-16H2,1-3H3,(H,30,35).
What are the key properties of N-[1-(4-methylphenyl)-3-(1-pentan-2-ylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-(4-methylphenyl)-3-(1-pentan-2-ylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 471.61 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)-3-(1-pentan-2-ylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66556627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).