2-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]hexan-1-amine

C19H29N3 — CID 4213258

IUPAC2-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]hexan-1-amine
SMILESCCCCC(CC)CNCc1cn[nH]c1-c1ccc(C)cc1
InChIInChI=1S/C19H29N3/c1-4-6-7-16(5-2)12-20-13-18-14-21-22-19(18)17-10-8-15(3)9-11-17/h8-11,14,16,20H,4-7,12-13H2,1-3H3,(H,21,22)
InChIKeyRVYMOPMBLSRDJG-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.69
Rot. Bonds9

About 2-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]hexan-1-amine

2-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]hexan-1-amine (PubChem CID 4213258) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 2-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]hexan-1-amine
PubChem CID4213258
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name2-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]hexan-1-amine
SMILESCCCCC(CC)CNCc1cn[nH]c1-c1ccc(C)cc1
InChIInChI=1S/C19H29N3/c1-4-6-7-16(5-2)12-20-13-18-14-21-22-19(18)17-10-8-15(3)9-11-17/h8-11,14,16,20H,4-7,12-13H2,1-3H3,(H,21,22)
InChIKeyRVYMOPMBLSRDJG-UHFFFAOYSA-N
XLogP4.69
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]butan-1-amine
CID 115616849
2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 17461528
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 4590247
2-ethyl-N-[(2-fluoro-5-methylphenyl)methyl]hexan-1-amine
CID 114053767
N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 4653228
2-methyl-N-[[5-(4-propoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 79490650
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylhexan-1-amine
CID 79578441
4-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]aniline
CID 112839432
2-ethyl-N-[(2-ethylphenyl)methyl]hexan-1-amine
CID 63420299
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 4538755
N-[(2,3-dimethylphenyl)methyl]-2-ethylhexan-1-amine
CID 55027033
2-(4-methylphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-morpholin-4-ylethanamine
CID 78894839

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]hexan-1-amine?
The IUPAC name of 2-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]hexan-1-amine (CID 4213258) is 2-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]hexan-1-amine?
The canonical SMILES for 2-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]hexan-1-amine is CCCCC(CC)CNCc1cn[nH]c1-c1ccc(C)cc1.
What is the InChIKey of 2-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]hexan-1-amine?
The InChIKey is RVYMOPMBLSRDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3/c1-4-6-7-16(5-2)12-20-13-18-14-21-22-19(18)17-10-8-15(3)9-11-17/h8-11,14,16,20H,4-7,12-13H2,1-3H3,(H,21,22).
What are the key properties of 2-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]hexan-1-amine?
2-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]hexan-1-amine has a molecular weight of 299.46 g/mol, XLogP of 4.69, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]hexan-1-amine is sourced from PubChem (CID 4213258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).