1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)pyrazole-5-carboxamide

C23H20FN3O2 — CID 1053621

IUPAC1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)pyrazole-5-carboxamide
SMILESCc1ccc(C)c(-n2nc(-c3ccco3)cc2C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C23H20FN3O2/c1-15-5-6-16(2)20(12-15)27-21(13-19(26-27)22-4-3-11-29-22)23(28)25-14-17-7-9-18(24)10-8-17/h3-13H,14H2,1-2H3,(H,25,28)
InChIKeyQHMMTXXQNOROOO-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.82
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)pyrazole-5-carboxamide

1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)pyrazole-5-carboxamide (PubChem CID 1053621) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)pyrazole-5-carboxamide
PubChem CID1053621
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC Name1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)pyrazole-5-carboxamide
SMILESCc1ccc(C)c(-n2nc(-c3ccco3)cc2C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C23H20FN3O2/c1-15-5-6-16(2)20(12-15)27-21(13-19(26-27)22-4-3-11-29-22)23(28)25-14-17-7-9-18(24)10-8-17/h3-13H,14H2,1-2H3,(H,25,28)
InChIKeyQHMMTXXQNOROOO-UHFFFAOYSA-N
XLogP4.82
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-phenylpyrazole-5-carboxamide
CID 42754711
N-butyl-1-(2,5-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 4003285
N-tert-butyl-1-(2,5-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 42762329
1-(4-fluorophenyl)-3-(furan-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 1053454
1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 1053837
1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrazole-5-carboxamide
CID 3661640
1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 42755274
1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-(3-methylbutyl)pyrazole-5-carboxamide
CID 1053825
1-(4-fluorophenyl)-3-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-5-carboxamide
CID 42762262
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 1053783
3-(furan-2-yl)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 1053382
[1-(2,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone
CID 42762330

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)pyrazole-5-carboxamide?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)pyrazole-5-carboxamide (CID 1053621) is 1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)pyrazole-5-carboxamide is Cc1ccc(C)c(-n2nc(-c3ccco3)cc2C(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)pyrazole-5-carboxamide?
The InChIKey is QHMMTXXQNOROOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2/c1-15-5-6-16(2)20(12-15)27-21(13-19(26-27)22-4-3-11-29-22)23(28)25-14-17-7-9-18(24)10-8-17/h3-13H,14H2,1-2H3,(H,25,28).
What are the key properties of 1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)pyrazole-5-carboxamide?
1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)pyrazole-5-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 1053621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).