N-[cyclohexen-1-yl-(1-phenylpyrazol-3-yl)methyl]ethanamine

C18H23N3 — CID 106657298

IUPACN-[cyclohexen-1-yl-(1-phenylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCC1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C18H23N3/c1-2-19-18(15-9-5-3-6-10-15)17-13-14-21(20-17)16-11-7-4-8-12-16/h4,7-9,11-14,18-19H,2-3,5-6,10H2,1H3
InChIKeyUMKDMYVKVGRBKP-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.02
Rot. Bonds5

About N-[cyclohexen-1-yl-(1-phenylpyrazol-3-yl)methyl]ethanamine

N-[cyclohexen-1-yl-(1-phenylpyrazol-3-yl)methyl]ethanamine (PubChem CID 106657298) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[cyclohexen-1-yl-(1-phenylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclohexen-1-yl-(1-phenylpyrazol-3-yl)methyl]ethanamine
PubChem CID106657298
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-[cyclohexen-1-yl-(1-phenylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCC1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C18H23N3/c1-2-19-18(15-9-5-3-6-10-15)17-13-14-21(20-17)16-11-7-4-8-12-16/h4,7-9,11-14,18-19H,2-3,5-6,10H2,1H3
InChIKeyUMKDMYVKVGRBKP-UHFFFAOYSA-N
XLogP4.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[cyclohexen-1-yl(quinolin-2-yl)methyl]ethanamine
CID 106652952
N-[cyclopenten-1-yl(phenyl)methyl]ethanamine
CID 62077860
N-[cyclohexen-1-yl-(2-methylphenyl)methyl]ethanamine
CID 55034558
N-ethyl-2-methyl-1-(1-phenylpyrazol-3-yl)butan-1-amine
CID 105170634
N-[cyclohexen-1-yl-(6-methoxypyridazin-3-yl)methyl]ethanamine
CID 106654822
N-[[(1E)-cycloocten-1-yl]-(6-methoxypyridazin-3-yl)methyl]ethanamine
CID 106654823
N-ethyl-1-(1-phenylpyrazol-3-yl)hex-4-yn-1-amine
CID 105181624
N-ethyl-1-(1-phenylpyrazol-3-yl)but-3-en-1-amine
CID 105108672
N-[cyclohepten-1-yl-(2-methylsulfanylphenyl)methyl]ethanamine
CID 103718540
1-(cyclohexen-1-yl)-N-methyl-1-(2-phenyltriazol-4-yl)methanamine
CID 106657394
N-[cyclohexen-1-yl-(2-methyl-3-pyridinyl)methyl]ethanamine
CID 106657373
N-[(3-bromo-2-pyridinyl)-(cyclohexen-1-yl)methyl]ethanamine
CID 106654365

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexen-1-yl-(1-phenylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[cyclohexen-1-yl-(1-phenylpyrazol-3-yl)methyl]ethanamine (CID 106657298) is N-[cyclohexen-1-yl-(1-phenylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclohexen-1-yl-(1-phenylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclohexen-1-yl-(1-phenylpyrazol-3-yl)methyl]ethanamine is CCNC(C1=CCCCC1)c1ccn(-c2ccccc2)n1.
What is the InChIKey of N-[cyclohexen-1-yl-(1-phenylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is UMKDMYVKVGRBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-2-19-18(15-9-5-3-6-10-15)17-13-14-21(20-17)16-11-7-4-8-12-16/h4,7-9,11-14,18-19H,2-3,5-6,10H2,1H3.
What are the key properties of N-[cyclohexen-1-yl-(1-phenylpyrazol-3-yl)methyl]ethanamine?
N-[cyclohexen-1-yl-(1-phenylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 281.40 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexen-1-yl-(1-phenylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 106657298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).