N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide

C24H19F2N5O2 — CID 24608908

IUPACN-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C24H19F2N5O2/c1-15(22-28-17-10-5-6-11-19(17)30(22)24(25)26)27-23(32)20-14-18(21-12-7-13-33-21)29-31(20)16-8-3-2-4-9-16/h2-15,24H,1H3,(H,27,32)
InChIKeyMBAXHBKKQDQCBH-UHFFFAOYSA-N
MW447.45 g/mol
LogP5.37
Rot. Bonds6

About N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide

N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide (PubChem CID 24608908) has the molecular formula C24H19F2N5O2 and a molecular weight of 447.45 g/mol. Its IUPAC name is N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
PubChem CID24608908
Molecular FormulaC24H19F2N5O2
Molecular Weight447.45 g/mol
Exact Mass447.15
IUPAC NameN-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C24H19F2N5O2/c1-15(22-28-17-10-5-6-11-19(17)30(22)24(25)26)27-23(32)20-14-18(21-12-7-13-33-21)29-31(20)16-8-3-2-4-9-16/h2-15,24H,1H3,(H,27,32)
InChIKeyMBAXHBKKQDQCBH-UHFFFAOYSA-N
XLogP5.37
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.45
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
The IUPAC name of N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide (CID 24608908) is N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide is CC(NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1)c1nc2ccccc2n1C(F)F.
What is the InChIKey of N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
The InChIKey is MBAXHBKKQDQCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5O2/c1-15(22-28-17-10-5-6-11-19(17)30(22)24(25)26)27-23(32)20-14-18(21-12-7-13-33-21)29-31(20)16-8-3-2-4-9-16/h2-15,24H,1H3,(H,27,32).
What are the key properties of N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide has a molecular weight of 447.45 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 24608908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).