1-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenylmethanamine

C17H23N3 — CID 56820905

IUPAC1-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenylmethanamine
SMILESCc1[nH]ncc1CNC(c1ccccc1)C1CCCC1
InChIInChI=1S/C17H23N3/c1-13-16(12-19-20-13)11-18-17(15-9-5-6-10-15)14-7-3-2-4-8-14/h2-4,7-8,12,15,17-18H,5-6,9-11H2,1H3,(H,19,20)
InChIKeyRCXSZBZXPJCSBY-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.74
Rot. Bonds5

About 1-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenylmethanamine

1-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenylmethanamine (PubChem CID 56820905) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenylmethanamine
PubChem CID56820905
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenylmethanamine
SMILESCc1[nH]ncc1CNC(c1ccccc1)C1CCCC1
InChIInChI=1S/C17H23N3/c1-13-16(12-19-20-13)11-18-17(15-9-5-6-10-15)14-7-3-2-4-8-14/h2-4,7-8,12,15,17-18H,5-6,9-11H2,1H3,(H,19,20)
InChIKeyRCXSZBZXPJCSBY-UHFFFAOYSA-N
XLogP3.74
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenylmethanamine?
The IUPAC name of 1-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenylmethanamine (CID 56820905) is 1-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenylmethanamine.
What is the SMILES notation for 1-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenylmethanamine?
The canonical SMILES for 1-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenylmethanamine is Cc1[nH]ncc1CNC(c1ccccc1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenylmethanamine?
The InChIKey is RCXSZBZXPJCSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13-16(12-19-20-13)11-18-17(15-9-5-6-10-15)14-7-3-2-4-8-14/h2-4,7-8,12,15,17-18H,5-6,9-11H2,1H3,(H,19,20).
What are the key properties of 1-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenylmethanamine?
1-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenylmethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 56820905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).