4-ethyl-1-(2-methylpyrazol-3-yl)-4-phenylhexan-3-amine

C18H27N3 — CID 103010123

IUPAC4-ethyl-1-(2-methylpyrazol-3-yl)-4-phenylhexan-3-amine
SMILESCCC(CC)(c1ccccc1)C(N)CCc1ccnn1C
InChIInChI=1S/C18H27N3/c1-4-18(5-2,15-9-7-6-8-10-15)17(19)12-11-16-13-14-20-21(16)3/h6-10,13-14,17H,4-5,11-12,19H2,1-3H3
InChIKeyQQZAIJSQBCNEAR-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.44
Rot. Bonds7

About 4-ethyl-1-(2-methylpyrazol-3-yl)-4-phenylhexan-3-amine

4-ethyl-1-(2-methylpyrazol-3-yl)-4-phenylhexan-3-amine (PubChem CID 103010123) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 4-ethyl-1-(2-methylpyrazol-3-yl)-4-phenylhexan-3-amine.

Molecular Properties

Compound Name4-ethyl-1-(2-methylpyrazol-3-yl)-4-phenylhexan-3-amine
PubChem CID103010123
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name4-ethyl-1-(2-methylpyrazol-3-yl)-4-phenylhexan-3-amine
SMILESCCC(CC)(c1ccccc1)C(N)CCc1ccnn1C
InChIInChI=1S/C18H27N3/c1-4-18(5-2,15-9-7-6-8-10-15)17(19)12-11-16-13-14-20-21(16)3/h6-10,13-14,17H,4-5,11-12,19H2,1-3H3
InChIKeyQQZAIJSQBCNEAR-UHFFFAOYSA-N
XLogP3.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(2-methylpyrazol-3-yl)-4-phenylpentan-3-amine
CID 103010021
4-ethyl-4-N,4-N-dimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine
CID 103011097
4-N,4-N,4-trimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine
CID 103011051
1-(2-methylpyrazol-3-yl)pentan-3-amine
CID 64505334
3-ethyl-3-phenyltricosan-4-amine
CID 21316172
1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
5-(2-methylpyrazol-3-yl)pentan-2-amine
CID 103004310
1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103030498
1-(2-methylpyrazol-3-yl)-4-phenylpentan-3-ol
CID 103006232
5-(3-bromobutyl)-1-methylpyrazole
CID 64509819
5-(3-chlorobutyl)-1-methylpyrazole
CID 64514221
1-(2-methylpyrazol-3-yl)hexane-3,4-diol
CID 103454643

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2-methylpyrazol-3-yl)-4-phenylhexan-3-amine?
The IUPAC name of 4-ethyl-1-(2-methylpyrazol-3-yl)-4-phenylhexan-3-amine (CID 103010123) is 4-ethyl-1-(2-methylpyrazol-3-yl)-4-phenylhexan-3-amine.
What is the SMILES notation for 4-ethyl-1-(2-methylpyrazol-3-yl)-4-phenylhexan-3-amine?
The canonical SMILES for 4-ethyl-1-(2-methylpyrazol-3-yl)-4-phenylhexan-3-amine is CCC(CC)(c1ccccc1)C(N)CCc1ccnn1C.
What is the InChIKey of 4-ethyl-1-(2-methylpyrazol-3-yl)-4-phenylhexan-3-amine?
The InChIKey is QQZAIJSQBCNEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-4-18(5-2,15-9-7-6-8-10-15)17(19)12-11-16-13-14-20-21(16)3/h6-10,13-14,17H,4-5,11-12,19H2,1-3H3.
What are the key properties of 4-ethyl-1-(2-methylpyrazol-3-yl)-4-phenylhexan-3-amine?
4-ethyl-1-(2-methylpyrazol-3-yl)-4-phenylhexan-3-amine has a molecular weight of 285.44 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2-methylpyrazol-3-yl)-4-phenylhexan-3-amine is sourced from PubChem (CID 103010123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).