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

C17H22FN3 — CID 97055776

IUPAC(1R)-1-cyclopentyl-1-(2-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
SMILESCn1cc(CN[C@@H](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/t17-/m1/s1
InChIKeyPVZQVPDTCHWAFH-QGZVFWFLSA-N
MW287.38 g/mol
LogP3.58
Rot. Bonds5

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

(1R)-1-cyclopentyl-1-(2-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine (PubChem CID 97055776) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is (1R)-1-cyclopentyl-1-(2-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name(1R)-1-cyclopentyl-1-(2-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
PubChem CID97055776
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name(1R)-1-cyclopentyl-1-(2-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
SMILESCn1cc(CN[C@@H](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/t17-/m1/s1
InChIKeyPVZQVPDTCHWAFH-QGZVFWFLSA-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-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43740523
(1S)-1-cyclohexyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81387813
(1S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81391425
1-[(R)-cyclopentyl-(2-fluorophenyl)methyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 96537537
1-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 64920356
1-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 115769846
1-cyclooctyl-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 80602955
1-[(2-chloro-6-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine
CID 86813464
1-(2,4-difluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43224040
1-cyclopentyl-N-[(4-fluorophenyl)methyl]-3-(1-methylpyrazol-4-yl)prop-2-yn-1-amine
CID 167794301
N-ethyl-2-(2-fluorophenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014723
(1S)-1-cyclopentyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 81385943

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclopentyl-1-(2-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of (1R)-1-cyclopentyl-1-(2-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine (CID 97055776) is (1R)-1-cyclopentyl-1-(2-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for (1R)-1-cyclopentyl-1-(2-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for (1R)-1-cyclopentyl-1-(2-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine is Cn1cc(CN[C@@H](c2ccccc2F)C2CCCC2)cn1.
What is the InChIKey of (1R)-1-cyclopentyl-1-(2-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The InChIKey is PVZQVPDTCHWAFH-QGZVFWFLSA-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/t17-/m1/s1.
What are the key properties of (1R)-1-cyclopentyl-1-(2-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
(1R)-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 (1R)-1-cyclopentyl-1-(2-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 97055776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).