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

C17H24ClN3 — CID 56820904

IUPAC1-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
SMILESCc1[nH]ncc1CNC(c1ccccc1)C1CCCC1.Cl
InChIInChI=1S/C17H23N3.ClH/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);1H
InChIKeyBQYNXNTVIOWGRD-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.16
Rot. Bonds5

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

1-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride (PubChem CID 56820904) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
PubChem CID56820904
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC Name1-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
SMILESCc1[nH]ncc1CNC(c1ccccc1)C1CCCC1.Cl
InChIInChI=1S/C17H23N3.ClH/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);1H
InChIKeyBQYNXNTVIOWGRD-UHFFFAOYSA-N
XLogP4.16
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.16
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;hydrochloride?
The IUPAC name of 1-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride (CID 56820904) is 1-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride.
What is the SMILES notation for 1-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride?
The canonical SMILES for 1-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride is Cc1[nH]ncc1CNC(c1ccccc1)C1CCCC1.Cl.
What is the InChIKey of 1-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride?
The InChIKey is BQYNXNTVIOWGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3.ClH/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);1H.
What are the key properties of 1-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride?
1-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride has a molecular weight of 305.85 g/mol, XLogP of 4.16, 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;hydrochloride is sourced from PubChem (CID 56820904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).