N-[[1-(2-fluoro-3-methylphenyl)pyrazol-3-yl]methyl]cyclopropanamine

C14H16FN3 — CID 114254035

IUPACN-[[1-(2-fluoro-3-methylphenyl)pyrazol-3-yl]methyl]cyclopropanamine
SMILESCc1cccc(-n2ccc(CNC3CC3)n2)c1F
InChIInChI=1S/C14H16FN3/c1-10-3-2-4-13(14(10)15)18-8-7-12(17-18)9-16-11-5-6-11/h2-4,7-8,11,16H,5-6,9H2,1H3
InChIKeyDIFAKVAEAYCPDQ-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.57
Rot. Bonds4

About N-[[1-(2-fluoro-3-methylphenyl)pyrazol-3-yl]methyl]cyclopropanamine

N-[[1-(2-fluoro-3-methylphenyl)pyrazol-3-yl]methyl]cyclopropanamine (PubChem CID 114254035) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is N-[[1-(2-fluoro-3-methylphenyl)pyrazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2-fluoro-3-methylphenyl)pyrazol-3-yl]methyl]cyclopropanamine
PubChem CID114254035
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC NameN-[[1-(2-fluoro-3-methylphenyl)pyrazol-3-yl]methyl]cyclopropanamine
SMILESCc1cccc(-n2ccc(CNC3CC3)n2)c1F
InChIInChI=1S/C14H16FN3/c1-10-3-2-4-13(14(10)15)18-8-7-12(17-18)9-16-11-5-6-11/h2-4,7-8,11,16H,5-6,9H2,1H3
InChIKeyDIFAKVAEAYCPDQ-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(2-fluoro-3-methylphenyl)pyrazol-3-yl]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

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluoro-3-methylphenyl)pyrazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2-fluoro-3-methylphenyl)pyrazol-3-yl]methyl]cyclopropanamine (CID 114254035) is N-[[1-(2-fluoro-3-methylphenyl)pyrazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2-fluoro-3-methylphenyl)pyrazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2-fluoro-3-methylphenyl)pyrazol-3-yl]methyl]cyclopropanamine is Cc1cccc(-n2ccc(CNC3CC3)n2)c1F.
What is the InChIKey of N-[[1-(2-fluoro-3-methylphenyl)pyrazol-3-yl]methyl]cyclopropanamine?
The InChIKey is DIFAKVAEAYCPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-10-3-2-4-13(14(10)15)18-8-7-12(17-18)9-16-11-5-6-11/h2-4,7-8,11,16H,5-6,9H2,1H3.
What are the key properties of N-[[1-(2-fluoro-3-methylphenyl)pyrazol-3-yl]methyl]cyclopropanamine?
N-[[1-(2-fluoro-3-methylphenyl)pyrazol-3-yl]methyl]cyclopropanamine has a molecular weight of 245.30 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluoro-3-methylphenyl)pyrazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114254035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).