N-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide

C27H21F2N3O4 — CID 51068930

IUPACN-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide
SMILESCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CN(Cc1ccco1)C(=O)c1ccco1
InChIInChI=1S/C27H21F2N3O4/c1-18-22(17-31(16-21-9-5-13-34-21)26(33)25-10-6-14-35-25)27(32(30-18)20-7-3-2-4-8-20)36-24-12-11-19(28)15-23(24)29/h2-15H,16-17H2,1H3
InChIKeyQQGRLIVVQRPOAS-UHFFFAOYSA-N
MW489.48 g/mol
LogP6.28
Rot. Bonds8

About N-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide

N-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide (PubChem CID 51068930) has the molecular formula C27H21F2N3O4 and a molecular weight of 489.48 g/mol. Its IUPAC name is N-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide
PubChem CID51068930
Molecular FormulaC27H21F2N3O4
Molecular Weight489.48 g/mol
Exact Mass489.15
IUPAC NameN-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide
SMILESCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CN(Cc1ccco1)C(=O)c1ccco1
InChIInChI=1S/C27H21F2N3O4/c1-18-22(17-31(16-21-9-5-13-34-21)26(33)25-10-6-14-35-25)27(32(30-18)20-7-3-2-4-8-20)36-24-12-11-19(28)15-23(24)29/h2-15H,16-17H2,1H3
InChIKeyQQGRLIVVQRPOAS-UHFFFAOYSA-N
XLogP6.28
TPSA73.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.48
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide (CID 51068930) is N-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide is Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CN(Cc1ccco1)C(=O)c1ccco1.
What is the InChIKey of N-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide?
The InChIKey is QQGRLIVVQRPOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F2N3O4/c1-18-22(17-31(16-21-9-5-13-34-21)26(33)25-10-6-14-35-25)27(32(30-18)20-7-3-2-4-8-20)36-24-12-11-19(28)15-23(24)29/h2-15H,16-17H2,1H3.
What are the key properties of N-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide?
N-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide has a molecular weight of 489.48 g/mol, XLogP of 6.28, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 51068930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).