N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-(difluoromethyl)pyrazole-3-carboxamide

C15H12ClF2N5O — CID 19506848

IUPACN-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-(difluoromethyl)pyrazole-3-carboxamide
SMILESO=C(Nc1cccc(Cn2cc(Cl)cn2)c1)c1ccnn1C(F)F
InChIInChI=1S/C15H12ClF2N5O/c16-11-7-20-22(9-11)8-10-2-1-3-12(6-10)21-14(24)13-4-5-19-23(13)15(17)18/h1-7,9,15H,8H2,(H,21,24)
InChIKeyILLJQTJIVHDNJB-UHFFFAOYSA-N
MW351.74 g/mol
LogP3.43
Rot. Bonds5

About N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-(difluoromethyl)pyrazole-3-carboxamide

N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-(difluoromethyl)pyrazole-3-carboxamide (PubChem CID 19506848) has the molecular formula C15H12ClF2N5O and a molecular weight of 351.74 g/mol. Its IUPAC name is N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-(difluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-(difluoromethyl)pyrazole-3-carboxamide
PubChem CID19506848
Molecular FormulaC15H12ClF2N5O
Molecular Weight351.74 g/mol
Exact Mass351.07
IUPAC NameN-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-(difluoromethyl)pyrazole-3-carboxamide
SMILESO=C(Nc1cccc(Cn2cc(Cl)cn2)c1)c1ccnn1C(F)F
InChIInChI=1S/C15H12ClF2N5O/c16-11-7-20-22(9-11)8-10-2-1-3-12(6-10)21-14(24)13-4-5-19-23(13)15(17)18/h1-7,9,15H,8H2,(H,21,24)
InChIKeyILLJQTJIVHDNJB-UHFFFAOYSA-N
XLogP3.43
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.74
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2-(difluoromethyl)pyrazole-3-carboxamide
CID 19506868
N-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)pyrazole-3-carboxamide
CID 19395890
2-[(4-chlorophenoxy)methyl]-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]pyrazole-3-carboxamide
CID 19507437
2-[(2-chlorophenoxy)methyl]-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]pyrazole-3-carboxamide
CID 19507133
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 19474875
4-[3-[(4-chloropyrazol-1-yl)methyl]anilino]-4-oxobutanoic acid
CID 51699136
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-iodo-1H-pyrazole-5-carboxamide
CID 19479897
4-chloro-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1-ethylpyrazole-3-carboxamide
CID 19263371
5-[(3-chlorophenoxy)methyl]-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]furan-2-carboxamide
CID 19446183
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
CID 19472126
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281327
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 19615427

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-(difluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-(difluoromethyl)pyrazole-3-carboxamide (CID 19506848) is N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-(difluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-(difluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-(difluoromethyl)pyrazole-3-carboxamide is O=C(Nc1cccc(Cn2cc(Cl)cn2)c1)c1ccnn1C(F)F.
What is the InChIKey of N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-(difluoromethyl)pyrazole-3-carboxamide?
The InChIKey is ILLJQTJIVHDNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2N5O/c16-11-7-20-22(9-11)8-10-2-1-3-12(6-10)21-14(24)13-4-5-19-23(13)15(17)18/h1-7,9,15H,8H2,(H,21,24).
What are the key properties of N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-(difluoromethyl)pyrazole-3-carboxamide?
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-(difluoromethyl)pyrazole-3-carboxamide has a molecular weight of 351.74 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-(difluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19506848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).