N-[1-(4-cyclopropylphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H27N7O3S — CID 66555265

IUPACN-[1-(4-cyclopropylphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC(c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(C4CC4)cc3)n2)CC1
InChIInChI=1S/C25H27N7O3S/c1-36(34,35)30-13-9-19(10-14-30)22-15-23(28-25(33)21-16-27-31-12-2-11-26-24(21)31)32(29-22)20-7-5-18(6-8-20)17-3-4-17/h2,5-8,11-12,15-17,19H,3-4,9-10,13-14H2,1H3,(H,28,33)
InChIKeyVOVPFNCBFJINAY-UHFFFAOYSA-N
MW505.60 g/mol
LogP3.18
Rot. Bonds6

About N-[1-(4-cyclopropylphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-(4-cyclopropylphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66555265) has the molecular formula C25H27N7O3S and a molecular weight of 505.60 g/mol. Its IUPAC name is N-[1-(4-cyclopropylphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-cyclopropylphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66555265
Molecular FormulaC25H27N7O3S
Molecular Weight505.60 g/mol
Exact Mass505.19
IUPAC NameN-[1-(4-cyclopropylphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC(c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(C4CC4)cc3)n2)CC1
InChIInChI=1S/C25H27N7O3S/c1-36(34,35)30-13-9-19(10-14-30)22-15-23(28-25(33)21-16-27-31-12-2-11-26-24(21)31)32(29-22)20-7-5-18(6-8-20)17-3-4-17/h2,5-8,11-12,15-17,19H,3-4,9-10,13-14H2,1H3,(H,28,33)
InChIKeyVOVPFNCBFJINAY-UHFFFAOYSA-N
XLogP3.18
TPSA114.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.60
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-(4-cyclopropylphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclopropylphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(4-cyclopropylphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66555265) is N-[1-(4-cyclopropylphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-cyclopropylphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(4-cyclopropylphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CS(=O)(=O)N1CCC(c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(C4CC4)cc3)n2)CC1.
What is the InChIKey of N-[1-(4-cyclopropylphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VOVPFNCBFJINAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O3S/c1-36(34,35)30-13-9-19(10-14-30)22-15-23(28-25(33)21-16-27-31-12-2-11-26-24(21)31)32(29-22)20-7-5-18(6-8-20)17-3-4-17/h2,5-8,11-12,15-17,19H,3-4,9-10,13-14H2,1H3,(H,28,33).
What are the key properties of N-[1-(4-cyclopropylphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-(4-cyclopropylphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 505.60 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyclopropylphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66555265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).