N-cyclopentyl-N-methyl-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C27H31N7O2 — CID 166165077

IUPACN-cyclopentyl-N-methyl-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cccc(-c2ccn(-c3cc(N4CCOCC4)n4nc(C(=O)N(C)C5CCCC5)cc4n3)n2)c1
InChIInChI=1S/C27H31N7O2/c1-19-6-5-7-20(16-19)22-10-11-33(29-22)24-18-26(32-12-14-36-15-13-32)34-25(28-24)17-23(30-34)27(35)31(2)21-8-3-4-9-21/h5-7,10-11,16-18,21H,3-4,8-9,12-15H2,1-2H3
InChIKeyLBRRDCPBAPIVGT-UHFFFAOYSA-N
MW485.59 g/mol
LogP3.74
Rot. Bonds5

About N-cyclopentyl-N-methyl-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide

N-cyclopentyl-N-methyl-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 166165077) has the molecular formula C27H31N7O2 and a molecular weight of 485.59 g/mol. Its IUPAC name is N-cyclopentyl-N-methyl-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-methyl-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID166165077
Molecular FormulaC27H31N7O2
Molecular Weight485.59 g/mol
Exact Mass485.25
IUPAC NameN-cyclopentyl-N-methyl-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cccc(-c2ccn(-c3cc(N4CCOCC4)n4nc(C(=O)N(C)C5CCCC5)cc4n3)n2)c1
InChIInChI=1S/C27H31N7O2/c1-19-6-5-7-20(16-19)22-10-11-33(29-22)24-18-26(32-12-14-36-15-13-32)34-25(28-24)17-23(30-34)27(35)31(2)21-8-3-4-9-21/h5-7,10-11,16-18,21H,3-4,8-9,12-15H2,1-2H3
InChIKeyLBRRDCPBAPIVGT-UHFFFAOYSA-N
XLogP3.74
TPSA80.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-methyl-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-cyclopentyl-N-methyl-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 166165077) is N-cyclopentyl-N-methyl-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-methyl-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-cyclopentyl-N-methyl-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)n4nc(C(=O)N(C)C5CCCC5)cc4n3)n2)c1.
What is the InChIKey of N-cyclopentyl-N-methyl-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is LBRRDCPBAPIVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O2/c1-19-6-5-7-20(16-19)22-10-11-33(29-22)24-18-26(32-12-14-36-15-13-32)34-25(28-24)17-23(30-34)27(35)31(2)21-8-3-4-9-21/h5-7,10-11,16-18,21H,3-4,8-9,12-15H2,1-2H3.
What are the key properties of N-cyclopentyl-N-methyl-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-cyclopentyl-N-methyl-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 485.59 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-methyl-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 166165077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).