2-[cyclopropanecarbonyl(methyl)amino]-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]benzamide

C28H25FN4O2 — CID 46494346

IUPAC2-[cyclopropanecarbonyl(methyl)amino]-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]benzamide
SMILESCN(C(=O)C1CC1)c1ccccc1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C28H25FN4O2/c1-32(28(35)20-11-12-20)25-10-6-5-9-24(25)27(34)30-17-21-18-33(23-7-3-2-4-8-23)31-26(21)19-13-15-22(29)16-14-19/h2-10,13-16,18,20H,11-12,17H2,1H3,(H,30,34)
InChIKeyINQFJMKBNJJAEV-UHFFFAOYSA-N
MW468.53 g/mol
LogP4.98
Rot. Bonds7

About 2-[cyclopropanecarbonyl(methyl)amino]-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]benzamide

2-[cyclopropanecarbonyl(methyl)amino]-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]benzamide (PubChem CID 46494346) has the molecular formula C28H25FN4O2 and a molecular weight of 468.53 g/mol. Its IUPAC name is 2-[cyclopropanecarbonyl(methyl)amino]-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2-[cyclopropanecarbonyl(methyl)amino]-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]benzamide
PubChem CID46494346
Molecular FormulaC28H25FN4O2
Molecular Weight468.53 g/mol
Exact Mass468.20
IUPAC Name2-[cyclopropanecarbonyl(methyl)amino]-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]benzamide
SMILESCN(C(=O)C1CC1)c1ccccc1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C28H25FN4O2/c1-32(28(35)20-11-12-20)25-10-6-5-9-24(25)27(34)30-17-21-18-33(23-7-3-2-4-8-23)31-26(21)19-13-15-22(29)16-14-19/h2-10,13-16,18,20H,11-12,17H2,1H3,(H,30,34)
InChIKeyINQFJMKBNJJAEV-UHFFFAOYSA-N
XLogP4.98
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-nitrobenzamide
CID 24516164
2-(cyclopropylmethylamino)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide;hydrochloride
CID 119694555
N-benzyl-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 1356321
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 55429498
2-ethoxy-N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]benzamide
CID 24551887
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 43048851
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-6-methylpyridine-3-carboxamide
CID 46511717
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 18228691
N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 42889854
1-(cyclopropanecarbonyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 27864196
(2R)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8589833
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 24516176

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropanecarbonyl(methyl)amino]-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]benzamide?
The IUPAC name of 2-[cyclopropanecarbonyl(methyl)amino]-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]benzamide (CID 46494346) is 2-[cyclopropanecarbonyl(methyl)amino]-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]benzamide.
What is the SMILES notation for 2-[cyclopropanecarbonyl(methyl)amino]-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]benzamide?
The canonical SMILES for 2-[cyclopropanecarbonyl(methyl)amino]-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]benzamide is CN(C(=O)C1CC1)c1ccccc1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1.
What is the InChIKey of 2-[cyclopropanecarbonyl(methyl)amino]-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]benzamide?
The InChIKey is INQFJMKBNJJAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN4O2/c1-32(28(35)20-11-12-20)25-10-6-5-9-24(25)27(34)30-17-21-18-33(23-7-3-2-4-8-23)31-26(21)19-13-15-22(29)16-14-19/h2-10,13-16,18,20H,11-12,17H2,1H3,(H,30,34).
What are the key properties of 2-[cyclopropanecarbonyl(methyl)amino]-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]benzamide?
2-[cyclopropanecarbonyl(methyl)amino]-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]benzamide has a molecular weight of 468.53 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropanecarbonyl(methyl)amino]-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]benzamide is sourced from PubChem (CID 46494346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).