1-cyclopentyl-1-(2-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine

C17H22FN3 — CID 71855414

IUPAC1-cyclopentyl-1-(2-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
SMILESCn1cc(CNC(c2ccccc2F)C2CCCC2)cn1
InChIInChI=1S/C17H22FN3/c1-21-12-13(11-20-21)10-19-17(14-6-2-3-7-14)15-8-4-5-9-16(15)18/h4-5,8-9,11-12,14,17,19H,2-3,6-7,10H2,1H3
InChIKeyPVZQVPDTCHWAFH-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.58
Rot. Bonds5

About 1-cyclopentyl-1-(2-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine

1-cyclopentyl-1-(2-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine (PubChem CID 71855414) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-cyclopentyl-1-(2-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclopentyl-1-(2-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
PubChem CID71855414
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name1-cyclopentyl-1-(2-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
SMILESCn1cc(CNC(c2ccccc2F)C2CCCC2)cn1
InChIInChI=1S/C17H22FN3/c1-21-12-13(11-20-21)10-19-17(14-6-2-3-7-14)15-8-4-5-9-16(15)18/h4-5,8-9,11-12,14,17,19H,2-3,6-7,10H2,1H3
InChIKeyPVZQVPDTCHWAFH-UHFFFAOYSA-N
XLogP3.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorobenzyl)-1H-pyrazol-4-amine
CID 4362222
MK-1925
CID 44178080
(1S,3R)-N-((1-ethyl-5-(5-fluoro-6-methylpyridin-3-yl)-4-methyl-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45270907
(1S,3R)-3-fluoro-N-((5-(5-fluoro-6-methylpyridin-3-yl)-1-isopropyl-4-methyl-1H-pyrazol-3-yl)methyl)cyclopentanamine
CID 45273531
1-(4-Fluorobenzyl)-1H-pyrazol-4-amine hydrochloride
CID 16192840
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16190778
1-ethyl-3-methyl-4-[(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
CID 2986538
(1S,3R)-3-fluoro-N-((5-(5-fluoro-6-methylpyridin-3-yl)-1,4-dimethyl-1H-pyrazol-3-yl)methyl)cyclopentanamine
CID 45268355
(1S,3R)-N-((5-(3,5-difluorophenyl)-1,4-dimethyl-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45273537
((1-benzyl-1H-pyrazol-4-yl)methyl)(methyl)amine
CID 7131412
1-Methyl-4-phenyl-1H-pyrazole
CID 13692442
1-((4-Fluorophenyl)methyl)-1H-pyrazol-4-amine
CID 573282

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-1-(2-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-cyclopentyl-1-(2-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine (CID 71855414) is 1-cyclopentyl-1-(2-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-cyclopentyl-1-(2-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-cyclopentyl-1-(2-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine is Cn1cc(CNC(c2ccccc2F)C2CCCC2)cn1.
What is the InChIKey of 1-cyclopentyl-1-(2-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The InChIKey is PVZQVPDTCHWAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-21-12-13(11-20-21)10-19-17(14-6-2-3-7-14)15-8-4-5-9-16(15)18/h4-5,8-9,11-12,14,17,19H,2-3,6-7,10H2,1H3.
What are the key properties of 1-cyclopentyl-1-(2-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
1-cyclopentyl-1-(2-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine has a molecular weight of 287.38 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-1-(2-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 71855414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).