1-benzyl-N-[3-chloro-4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide

C18H14ClF2N3O2 — CID 26248020

IUPAC1-benzyl-N-[3-chloro-4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C18H14ClF2N3O2/c19-15-8-14(6-7-16(15)26-18(20)21)23-17(25)13-9-22-24(11-13)10-12-4-2-1-3-5-12/h1-9,11,18H,10H2,(H,23,25)
InChIKeyHVIXSBSVGAWNSZ-UHFFFAOYSA-N
MW377.78 g/mol
LogP4.44
Rot. Bonds6

About 1-benzyl-N-[3-chloro-4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide

1-benzyl-N-[3-chloro-4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide (PubChem CID 26248020) has the molecular formula C18H14ClF2N3O2 and a molecular weight of 377.78 g/mol. Its IUPAC name is 1-benzyl-N-[3-chloro-4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[3-chloro-4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide
PubChem CID26248020
Molecular FormulaC18H14ClF2N3O2
Molecular Weight377.78 g/mol
Exact Mass377.07
IUPAC Name1-benzyl-N-[3-chloro-4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C18H14ClF2N3O2/c19-15-8-14(6-7-16(15)26-18(20)21)23-17(25)13-9-22-24(11-13)10-12-4-2-1-3-5-12/h1-9,11,18H,10H2,(H,23,25)
InChIKeyHVIXSBSVGAWNSZ-UHFFFAOYSA-N
XLogP4.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.78
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-chloro-4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[3-chloro-4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide (CID 26248020) is 1-benzyl-N-[3-chloro-4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[3-chloro-4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[3-chloro-4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide is O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-[3-chloro-4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide?
The InChIKey is HVIXSBSVGAWNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2N3O2/c19-15-8-14(6-7-16(15)26-18(20)21)23-17(25)13-9-22-24(11-13)10-12-4-2-1-3-5-12/h1-9,11,18H,10H2,(H,23,25).
What are the key properties of 1-benzyl-N-[3-chloro-4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide?
1-benzyl-N-[3-chloro-4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide has a molecular weight of 377.78 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[3-chloro-4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 26248020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).