2-phenyl-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine

C16H21N3 — CID 54897003

IUPAC2-phenyl-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine
SMILESc1ccc(C2CCCCC2NCc2cn[nH]c2)cc1
InChIInChI=1S/C16H21N3/c1-2-6-14(7-3-1)15-8-4-5-9-16(15)17-10-13-11-18-19-12-13/h1-3,6-7,11-12,15-17H,4-5,8-10H2,(H,18,19)
InChIKeyRWOZNDZMBLIXFS-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.23
Rot. Bonds4

About 2-phenyl-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine

2-phenyl-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine (PubChem CID 54897003) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-phenyl-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-phenyl-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine
PubChem CID54897003
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name2-phenyl-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine
SMILESc1ccc(C2CCCCC2NCc2cn[nH]c2)cc1
InChIInChI=1S/C16H21N3/c1-2-6-14(7-3-1)15-8-4-5-9-16(15)17-10-13-11-18-19-12-13/h1-3,6-7,11-12,15-17H,4-5,8-10H2,(H,18,19)
InChIKeyRWOZNDZMBLIXFS-UHFFFAOYSA-N
XLogP3.23
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)cyclopentan-1-amine
CID 130992265
2-phenyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 43769450
2-ethyl-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine
CID 62403355
N-[(6-methyl-3-pyridinyl)methyl]-2-phenylcyclohexan-1-amine
CID 62994908
N-(cyclohexylmethyl)-2-phenylcyclohexan-1-amine
CID 43775635
N-[(3-bromophenyl)methyl]-2-phenylcyclohexan-1-amine
CID 63454758
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
N-(2,2-dimethylpropyl)-2-phenylcyclohexan-1-amine
CID 61166824
[1-[[(2-phenylcyclohexyl)amino]methyl]cyclopropyl]methanol
CID 81343311
N'-(2-phenylcyclohexyl)propane-1,3-diamine
CID 60895197
3-[(2-phenylcyclohexyl)amino]propanoic acid
CID 43774837
N-(3-ethoxypropyl)-2-phenylcyclohexan-1-amine
CID 43765298

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2-phenyl-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine (CID 54897003) is 2-phenyl-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-phenyl-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2-phenyl-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine is c1ccc(C2CCCCC2NCc2cn[nH]c2)cc1.
What is the InChIKey of 2-phenyl-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine?
The InChIKey is RWOZNDZMBLIXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-6-14(7-3-1)15-8-4-5-9-16(15)17-10-13-11-18-19-12-13/h1-3,6-7,11-12,15-17H,4-5,8-10H2,(H,18,19).
What are the key properties of 2-phenyl-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine?
2-phenyl-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine has a molecular weight of 255.37 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 54897003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).