N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H18Cl2F2N6O — CID 19339677

IUPACN-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)nn1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C25H18Cl2F2N6O/c1-14-10-22(33-34(14)13-17-18(26)8-5-9-19(17)27)32-25(36)16-12-30-35-21(23(28)29)11-20(31-24(16)35)15-6-3-2-4-7-15/h2-12,23H,13H2,1H3,(H,32,33,36)
InChIKeyPTWMCQFXZGEBFG-UHFFFAOYSA-N
MW527.36 g/mol
LogP6.45
Rot. Bonds6

About N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19339677) has the molecular formula C25H18Cl2F2N6O and a molecular weight of 527.36 g/mol. Its IUPAC name is N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19339677
Molecular FormulaC25H18Cl2F2N6O
Molecular Weight527.36 g/mol
Exact Mass526.09
IUPAC NameN-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)nn1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C25H18Cl2F2N6O/c1-14-10-22(33-34(14)13-17-18(26)8-5-9-19(17)27)32-25(36)16-12-30-35-21(23(28)29)11-20(31-24(16)35)15-6-3-2-4-7-15/h2-12,23H,13H2,1H3,(H,32,33,36)
InChIKeyPTWMCQFXZGEBFG-UHFFFAOYSA-N
XLogP6.45
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.36
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-7-(difluoromethyl)-5-phenylpyrazolo[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

Related Compounds

N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995429
N-(5-chloro-2-methylphenyl)-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995374
N-butan-2-yl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4071577
7-(difluoromethyl)-5-phenyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 969823
7-(difluoromethyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19327919
7-(difluoromethyl)-N-(3-hydroxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447322
7-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995343
7-(difluoromethyl)-5-(4-methoxyphenyl)-N-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17382177
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995539
methyl 2-[[4-[[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-3,5-dimethylpyrazol-1-yl]methyl]benzoate
CID 19406881
N-(3-chloro-2-methylphenyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171981658
7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl chloride
CID 7020409

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19339677) is N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)nn1Cc1c(Cl)cccc1Cl.
What is the InChIKey of N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PTWMCQFXZGEBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2F2N6O/c1-14-10-22(33-34(14)13-17-18(26)8-5-9-19(17)27)32-25(36)16-12-30-35-21(23(28)29)11-20(31-24(16)35)15-6-3-2-4-7-15/h2-12,23H,13H2,1H3,(H,32,33,36).
What are the key properties of N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 527.36 g/mol, XLogP of 6.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19339677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).