N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-phenylcyclohexan-1-amine

C17H23N3 — CID 43435374

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-phenylcyclohexan-1-amine
SMILESCc1[nH]ncc1CNC1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H23N3/c1-13-16(12-19-20-13)11-18-17-9-7-15(8-10-17)14-5-3-2-4-6-14/h2-6,12,15,17-18H,7-11H2,1H3,(H,19,20)
InChIKeyKNRFFVJARVXNND-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.53
Rot. Bonds4

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-phenylcyclohexan-1-amine

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-phenylcyclohexan-1-amine (PubChem CID 43435374) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-phenylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-phenylcyclohexan-1-amine
PubChem CID43435374
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-phenylcyclohexan-1-amine
SMILESCc1[nH]ncc1CNC1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H23N3/c1-13-16(12-19-20-13)11-18-17-9-7-15(8-10-17)14-5-3-2-4-6-14/h2-6,12,15,17-18H,7-11H2,1H3,(H,19,20)
InChIKeyKNRFFVJARVXNND-UHFFFAOYSA-N
XLogP3.53
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-phenylcyclohexan-1-amine 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-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-phenylcyclohexan-1-amine?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-phenylcyclohexan-1-amine (CID 43435374) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-phenylcyclohexan-1-amine.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-phenylcyclohexan-1-amine?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-phenylcyclohexan-1-amine is Cc1[nH]ncc1CNC1CCC(c2ccccc2)CC1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-phenylcyclohexan-1-amine?
The InChIKey is KNRFFVJARVXNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13-16(12-19-20-13)11-18-17-9-7-15(8-10-17)14-5-3-2-4-6-14/h2-6,12,15,17-18H,7-11H2,1H3,(H,19,20).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-phenylcyclohexan-1-amine?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-phenylcyclohexan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-phenylcyclohexan-1-amine is sourced from PubChem (CID 43435374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).