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

C14H16FN3 — CID 103131603

IUPACN-[[4-fluoro-3-(1-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine
SMILESCn1ccc(-c2cc(CNC3CC3)ccc2F)n1
InChIInChI=1S/C14H16FN3/c1-18-7-6-14(17-18)12-8-10(2-5-13(12)15)9-16-11-3-4-11/h2,5-8,11,16H,3-4,9H2,1H3
InChIKeyFRKJUNXFGUASTB-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.48
Rot. Bonds4

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

N-[[4-fluoro-3-(1-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine (PubChem CID 103131603) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is N-[[4-fluoro-3-(1-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-fluoro-3-(1-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine
PubChem CID103131603
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC NameN-[[4-fluoro-3-(1-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine
SMILESCn1ccc(-c2cc(CNC3CC3)ccc2F)n1
InChIInChI=1S/C14H16FN3/c1-18-7-6-14(17-18)12-8-10(2-5-13(12)15)9-16-11-3-4-11/h2,5-8,11,16H,3-4,9H2,1H3
InChIKeyFRKJUNXFGUASTB-UHFFFAOYSA-N
XLogP2.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-fluoro-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 66021448
N-[[3-(2,6-difluoro-3-methylphenyl)-4-fluorophenyl]methyl]cyclopropanamine
CID 82803405
N-[[3-(2,4-difluorophenyl)-4-fluorophenyl]methyl]cyclopropanamine
CID 61033260
N-[[3-(2-chloro-4,5-dimethylphenyl)-4-fluorophenyl]methyl]cyclopropanamine
CID 115484355
N-[[4-(2,5-difluorophenyl)-3-fluorophenyl]methyl]cyclopropanamine
CID 81447955
N-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methyl]cyclopropanamine
CID 43282151
N-[[3-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]cyclopropanamine
CID 114732131
N-[[4-(2-fluorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66480229
N-[[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 107453756
[4-[(cyclopropylamino)methyl]-2-fluorophenyl]boronic acid
CID 56776658
N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107456438
N-[[3-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methyl]cyclopropanamine
CID 63805463

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(1-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-fluoro-3-(1-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine (CID 103131603) is N-[[4-fluoro-3-(1-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-fluoro-3-(1-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-fluoro-3-(1-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine is Cn1ccc(-c2cc(CNC3CC3)ccc2F)n1.
What is the InChIKey of N-[[4-fluoro-3-(1-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is FRKJUNXFGUASTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-18-7-6-14(17-18)12-8-10(2-5-13(12)15)9-16-11-3-4-11/h2,5-8,11,16H,3-4,9H2,1H3.
What are the key properties of N-[[4-fluoro-3-(1-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine?
N-[[4-fluoro-3-(1-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 245.30 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-(1-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 103131603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).