N-(3-chloro-2-methylphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H13ClF2N4O — CID 19416189

IUPACN-(3-chloro-2-methylphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C(F)F)n2ncc(C(=O)Nc3cccc(Cl)c3C)c2n1
InChIInChI=1S/C16H13ClF2N4O/c1-8-6-13(14(18)19)23-15(21-8)10(7-20-23)16(24)22-12-5-3-4-11(17)9(12)2/h3-7,14H,1-2H3,(H,22,24)
InChIKeyLWDQNOBNIMTKFK-UHFFFAOYSA-N
MW350.76 g/mol
LogP4.19
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(3-chloro-2-methylphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19416189) has the molecular formula C16H13ClF2N4O and a molecular weight of 350.76 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19416189
Molecular FormulaC16H13ClF2N4O
Molecular Weight350.76 g/mol
Exact Mass350.07
IUPAC NameN-(3-chloro-2-methylphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C(F)F)n2ncc(C(=O)Nc3cccc(Cl)c3C)c2n1
InChIInChI=1S/C16H13ClF2N4O/c1-8-6-13(14(18)19)23-15(21-8)10(7-20-23)16(24)22-12-5-3-4-11(17)9(12)2/h3-7,14H,1-2H3,(H,22,24)
InChIKeyLWDQNOBNIMTKFK-UHFFFAOYSA-N
XLogP4.19
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.76
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(difluoromethyl)-N-(2,3-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416183
N-(5-chloro-2-hydroxyphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416210
7-(difluoromethyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416192
7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 969760
N-(3-chloro-2-methylphenyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171981658
7-(difluoromethyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447131
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447160
N-(5-chloro-2-methylphenyl)-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995374
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416383
N-(4-cyano-1-phenylpyrazol-5-yl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447094
N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416334
[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 2056148

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19416189) is N-(3-chloro-2-methylphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C(F)F)n2ncc(C(=O)Nc3cccc(Cl)c3C)c2n1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LWDQNOBNIMTKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2N4O/c1-8-6-13(14(18)19)23-15(21-8)10(7-20-23)16(24)22-12-5-3-4-11(17)9(12)2/h3-7,14H,1-2H3,(H,22,24).
What are the key properties of N-(3-chloro-2-methylphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(3-chloro-2-methylphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 350.76 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19416189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).