N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C29H20ClF3N6O — CID 19335376

IUPACN-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(NC(=O)c2cc3nc(-c4ccc5ccccc5c4)cc(C(F)(F)F)n3n2)nn1Cc1ccccc1Cl
InChIInChI=1S/C29H20ClF3N6O/c1-17-12-26(37-38(17)16-21-8-4-5-9-22(21)30)35-28(40)24-15-27-34-23(14-25(29(31,32)33)39(27)36-24)20-11-10-18-6-2-3-7-19(18)13-20/h2-15H,16H2,1H3,(H,35,37,40)
InChIKeyIAUCPDNGYBJTDJ-UHFFFAOYSA-N
MW560.97 g/mol
LogP7.03
Rot. Bonds5

About N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19335376) has the molecular formula C29H20ClF3N6O and a molecular weight of 560.97 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19335376
Molecular FormulaC29H20ClF3N6O
Molecular Weight560.97 g/mol
Exact Mass560.13
IUPAC NameN-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(NC(=O)c2cc3nc(-c4ccc5ccccc5c4)cc(C(F)(F)F)n3n2)nn1Cc1ccccc1Cl
InChIInChI=1S/C29H20ClF3N6O/c1-17-12-26(37-38(17)16-21-8-4-5-9-22(21)30)35-28(40)24-15-27-34-23(14-25(29(31,32)33)39(27)36-24)20-11-10-18-6-2-3-7-19(18)13-20/h2-15H,16H2,1H3,(H,35,37,40)
InChIKeyIAUCPDNGYBJTDJ-UHFFFAOYSA-N
XLogP7.03
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.97
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19339671
5-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19411368
N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19412029
5-(5-ethylthiophen-2-yl)-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19411366
N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19345547
N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19287409
N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19408484
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19393196
N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19341399
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19324686
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19407164
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19337399

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19335376) is N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(NC(=O)c2cc3nc(-c4ccc5ccccc5c4)cc(C(F)(F)F)n3n2)nn1Cc1ccccc1Cl.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is IAUCPDNGYBJTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20ClF3N6O/c1-17-12-26(37-38(17)16-21-8-4-5-9-22(21)30)35-28(40)24-15-27-34-23(14-25(29(31,32)33)39(27)36-24)20-11-10-18-6-2-3-7-19(18)13-20/h2-15H,16H2,1H3,(H,35,37,40).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 560.97 g/mol, XLogP of 7.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19335376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).