3-(3-chlorophenyl)-N-(3,3-diphenylpropyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C29H25ClN4O — CID 46084720

IUPAC3-(3-chlorophenyl)-N-(3,3-diphenylpropyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCCC(c2ccccc2)c2ccccc2)cnc2c(-c3cccc(Cl)c3)cnn12
InChIInChI=1S/C29H25ClN4O/c1-20-26(18-32-28-27(19-33-34(20)28)23-13-8-14-24(30)17-23)29(35)31-16-15-25(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-14,17-19,25H,15-16H2,1H3,(H,31,35)
InChIKeyLNCDTSSWRRPZMQ-UHFFFAOYSA-N
MW481.00 g/mol
LogP6.31
Rot. Bonds7

About 3-(3-chlorophenyl)-N-(3,3-diphenylpropyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide

3-(3-chlorophenyl)-N-(3,3-diphenylpropyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 46084720) has the molecular formula C29H25ClN4O and a molecular weight of 481.00 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(3,3-diphenylpropyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(3,3-diphenylpropyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID46084720
Molecular FormulaC29H25ClN4O
Molecular Weight481.00 g/mol
Exact Mass480.17
IUPAC Name3-(3-chlorophenyl)-N-(3,3-diphenylpropyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCCC(c2ccccc2)c2ccccc2)cnc2c(-c3cccc(Cl)c3)cnn12
InChIInChI=1S/C29H25ClN4O/c1-20-26(18-32-28-27(19-33-34(20)28)23-13-8-14-24(30)17-23)29(35)31-16-15-25(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-14,17-19,25H,15-16H2,1H3,(H,31,35)
InChIKeyLNCDTSSWRRPZMQ-UHFFFAOYSA-N
XLogP6.31
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.00
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(3-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 10041419
7-methyl-N-(2-phenylethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 57387345
7-methyl-N-(2-phenoxyethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 44580008
N-[2-(2-fluorophenoxy)ethyl]-7-methyl-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 44579646
N-[(2S)-2-ethylhexyl]-7-methyl-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 92769342
7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 25101223
3-(3-chlorophenyl)-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine
CID 3850835
N-(3,3-diphenylpropyl)-2-methylpyridine-3-carboxamide
CID 11976200
8-(3-chlorophenyl)-N-(4-ethylphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 30315114
N-[(2R)-1-methoxypropan-2-yl]-7-methyl-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 57387599
5-(3,3-diphenylpropylcarbamoyl)-2-fluoropyridine-4-carboxylic acid
CID 69116851
1-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-[(1S)-1-phenylethyl]urea
CID 58628491

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(3,3-diphenylpropyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-(3-chlorophenyl)-N-(3,3-diphenylpropyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 46084720) is 3-(3-chlorophenyl)-N-(3,3-diphenylpropyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(3,3-diphenylpropyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-(3,3-diphenylpropyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1c(C(=O)NCCC(c2ccccc2)c2ccccc2)cnc2c(-c3cccc(Cl)c3)cnn12.
What is the InChIKey of 3-(3-chlorophenyl)-N-(3,3-diphenylpropyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is LNCDTSSWRRPZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClN4O/c1-20-26(18-32-28-27(19-33-34(20)28)23-13-8-14-24(30)17-23)29(35)31-16-15-25(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-14,17-19,25H,15-16H2,1H3,(H,31,35).
What are the key properties of 3-(3-chlorophenyl)-N-(3,3-diphenylpropyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
3-(3-chlorophenyl)-N-(3,3-diphenylpropyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 481.00 g/mol, XLogP of 6.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(3,3-diphenylpropyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 46084720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).