2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

C21H22FN3O — CID 27106218

IUPAC2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
SMILESO=C(CN(Cc1ccccc1F)C1CC1)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C21H22FN3O/c22-19-9-5-4-8-17(19)14-24(18-10-11-18)15-21(26)25-13-12-20(23-25)16-6-2-1-3-7-16/h1-9,18H,10-15H2
InChIKeyRULGMOMZFULGTQ-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.43
Rot. Bonds6

About 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone (PubChem CID 27106218) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone.

Molecular Properties

Compound Name2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
PubChem CID27106218
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
SMILESO=C(CN(Cc1ccccc1F)C1CC1)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C21H22FN3O/c22-19-9-5-4-8-17(19)14-24(18-10-11-18)15-21(26)25-13-12-20(23-25)16-6-2-1-3-7-16/h1-9,18H,10-15H2
InChIKeyRULGMOMZFULGTQ-UHFFFAOYSA-N
XLogP3.43
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-fluorophenyl)methyl-methylamino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 26514033
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 87014243
5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-carboxylic acid
CID 42750343
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 26508107
3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one
CID 120980502
N-methyl-4-oxo-N-(4-phenylcyclohexyl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55588724
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 26010059
1-[5-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-phenylethanone
CID 86097008
N-cyclooctyl-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 27106314
ethyl 4-[[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetyl]amino]piperidine-1-carboxylate
CID 8991821
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide
CID 26651079
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(1-phenylethyl)acetamide
CID 18088884

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The IUPAC name of 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone (CID 27106218) is 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone.
What is the SMILES notation for 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The canonical SMILES for 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone is O=C(CN(Cc1ccccc1F)C1CC1)N1CCC(c2ccccc2)=N1.
What is the InChIKey of 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The InChIKey is RULGMOMZFULGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c22-19-9-5-4-8-17(19)14-24(18-10-11-18)15-21(26)25-13-12-20(23-25)16-6-2-1-3-7-16/h1-9,18H,10-15H2.
What are the key properties of 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone has a molecular weight of 351.43 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone is sourced from PubChem (CID 27106218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).