N-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)pyrazole-3-carboxamide

C15H13F2N5O — CID 19395890

IUPACN-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)pyrazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1ccnn1C(F)F
InChIInChI=1S/C15H13F2N5O/c16-15(17)22-13(6-7-18-22)14(23)20-12-8-19-21(10-12)9-11-4-2-1-3-5-11/h1-8,10,15H,9H2,(H,20,23)
InChIKeyADEUFLXBGLJXBB-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.78
Rot. Bonds5

About N-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)pyrazole-3-carboxamide

N-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)pyrazole-3-carboxamide (PubChem CID 19395890) has the molecular formula C15H13F2N5O and a molecular weight of 317.30 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)pyrazole-3-carboxamide
PubChem CID19395890
Molecular FormulaC15H13F2N5O
Molecular Weight317.30 g/mol
Exact Mass317.11
IUPAC NameN-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)pyrazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1ccnn1C(F)F
InChIInChI=1S/C15H13F2N5O/c16-15(17)22-13(6-7-18-22)14(23)20-12-8-19-21(10-12)9-11-4-2-1-3-5-11/h1-8,10,15H,9H2,(H,20,23)
InChIKeyADEUFLXBGLJXBB-UHFFFAOYSA-N
XLogP2.78
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-(difluoromethyl)pyrazole-3-carboxamide
CID 19506848
N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2-(difluoromethyl)pyrazole-3-carboxamide
CID 19506868
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
N-(1-benzylpyrazol-4-yl)-2-bromo-3-methylbutanamide
CID 60934374
N-(1-benzylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 134701053
N-(1-benzylpyrazol-4-yl)-6-chloropyridine-3-carboxamide
CID 60526938
3,5-diacetamido-N-(1-benzylpyrazol-4-yl)benzamide
CID 60552582
N-(1-benzylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide
CID 35761599
N-(1-benzylpyrazol-4-yl)-3-chloropropanamide
CID 54867188
N-(1-benzylpyrazol-4-yl)-1-methyl-3-propylpyrazole-5-carboxamide
CID 134701056
4-(benzenesulfonylmethyl)-N-(1-benzylpyrazol-4-yl)benzamide
CID 55948742
2-(difluoromethyl)-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-3-carboxamide
CID 19506896

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)pyrazole-3-carboxamide (CID 19395890) is N-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)pyrazole-3-carboxamide is O=C(Nc1cnn(Cc2ccccc2)c1)c1ccnn1C(F)F.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)pyrazole-3-carboxamide?
The InChIKey is ADEUFLXBGLJXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N5O/c16-15(17)22-13(6-7-18-22)14(23)20-12-8-19-21(10-12)9-11-4-2-1-3-5-11/h1-8,10,15H,9H2,(H,20,23).
What are the key properties of N-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)pyrazole-3-carboxamide?
N-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)pyrazole-3-carboxamide has a molecular weight of 317.30 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19395890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).