N-[[4-fluoro-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]cyclopropanamine

C17H22FN3 — CID 66021448

IUPACN-[[4-fluoro-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
SMILESCCCn1cc(-c2cc(CNC3CC3)ccc2F)c(C)n1
InChIInChI=1S/C17H22FN3/c1-3-8-21-11-16(12(2)20-21)15-9-13(4-7-17(15)18)10-19-14-5-6-14/h4,7,9,11,14,19H,3,5-6,8,10H2,1-2H3
InChIKeyUCUCYZHOJCMUEA-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.66
Rot. Bonds6

About N-[[4-fluoro-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]cyclopropanamine

N-[[4-fluoro-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]cyclopropanamine (PubChem CID 66021448) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[[4-fluoro-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-fluoro-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
PubChem CID66021448
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC NameN-[[4-fluoro-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
SMILESCCCn1cc(-c2cc(CNC3CC3)ccc2F)c(C)n1
InChIInChI=1S/C17H22FN3/c1-3-8-21-11-16(12(2)20-21)15-9-13(4-7-17(15)18)10-19-14-5-6-14/h4,7,9,11,14,19H,3,5-6,8,10H2,1-2H3
InChIKeyUCUCYZHOJCMUEA-UHFFFAOYSA-N
XLogP3.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-fluoro-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]cyclopropanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-[[4-fluoro-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine
CID 66021859
N-[[4-fluoro-3-(1-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine
CID 103131603
N-methyl-1-[4-methyl-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methanamine
CID 105410059
N-[[3-(2,6-difluoro-3-methylphenyl)-4-fluorophenyl]methyl]cyclopropanamine
CID 82803405
N-[[3-(2-chloro-4,5-dimethylphenyl)-4-fluorophenyl]methyl]cyclopropanamine
CID 115484355
N-[[3-(2,4-difluorophenyl)-4-fluorophenyl]methyl]cyclopropanamine
CID 61033260
N-[[4-methyl-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 105410060
N-[[1-[(3-chloro-4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 103041569
N-[[4-(2,5-difluorophenyl)-3-fluorophenyl]methyl]cyclopropanamine
CID 81447955
4-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]cyclohexan-1-amine
CID 63453712
N-[[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methyl]cyclopropanamine
CID 43281201
N-[[4-(2-fluorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66480229

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-fluoro-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]cyclopropanamine (CID 66021448) is N-[[4-fluoro-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-fluoro-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-fluoro-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]cyclopropanamine is CCCn1cc(-c2cc(CNC3CC3)ccc2F)c(C)n1.
What is the InChIKey of N-[[4-fluoro-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is UCUCYZHOJCMUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-3-8-21-11-16(12(2)20-21)15-9-13(4-7-17(15)18)10-19-14-5-6-14/h4,7,9,11,14,19H,3,5-6,8,10H2,1-2H3.
What are the key properties of N-[[4-fluoro-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]cyclopropanamine?
N-[[4-fluoro-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 287.38 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 66021448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).