1-(4-fluorophenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide

C17H20FN3O — CID 56818149

IUPAC1-(4-fluorophenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide
SMILESCC(CNC(=O)C1(c2ccc(F)cc2)CC1)Cn1cccn1
InChIInChI=1S/C17H20FN3O/c1-13(12-21-10-2-9-20-21)11-19-16(22)17(7-8-17)14-3-5-15(18)6-4-14/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,19,22)
InChIKeyDJHNJNWAHVDVTL-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.51
Rot. Bonds6

About 1-(4-fluorophenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide

1-(4-fluorophenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide (PubChem CID 56818149) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide
PubChem CID56818149
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name1-(4-fluorophenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide
SMILESCC(CNC(=O)C1(c2ccc(F)cc2)CC1)Cn1cccn1
InChIInChI=1S/C17H20FN3O/c1-13(12-21-10-2-9-20-21)11-19-16(22)17(7-8-17)14-3-5-15(18)6-4-14/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,19,22)
InChIKeyDJHNJNWAHVDVTL-UHFFFAOYSA-N
XLogP2.51
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide
CID 37392369
1-phenyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]cyclopropane-1-carboxamide
CID 95593407
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 131944233
1-(4-fluorophenyl)-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 110438203
4-methoxy-N-(2-methyl-3-pyrazol-1-ylpropyl)piperidine-4-carboxamide;hydrochloride
CID 119734139
1-[(4-fluorophenyl)methyl]-3-methyl-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 94140701
1-(4-fluorophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 120829002
3-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-methoxypropanoic acid
CID 106107057
N-(3-hydroxy-2-methylpropyl)-1-phenylcyclopropane-1-carboxamide
CID 65036967
1-(4-fluorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)cyclopropane-1-carboxamide
CID 134003398
1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide
CID 110438262
N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 129379799

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide (CID 56818149) is 1-(4-fluorophenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide is CC(CNC(=O)C1(c2ccc(F)cc2)CC1)Cn1cccn1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide?
The InChIKey is DJHNJNWAHVDVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-13(12-21-10-2-9-20-21)11-19-16(22)17(7-8-17)14-3-5-15(18)6-4-14/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,19,22).
What are the key properties of 1-(4-fluorophenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide?
1-(4-fluorophenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 56818149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).