N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methyl-2-phenylbutan-1-amine

C18H27N3 — CID 103893916

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methyl-2-phenylbutan-1-amine
SMILESCCc1nn(C)cc1CNCC(c1ccccc1)C(C)C
InChIInChI=1S/C18H27N3/c1-5-18-16(13-21(4)20-18)11-19-12-17(14(2)3)15-9-7-6-8-10-15/h6-10,13-14,17,19H,5,11-12H2,1-4H3
InChIKeyNTIMQCNZFIFUGL-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.51
Rot. Bonds7

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methyl-2-phenylbutan-1-amine

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methyl-2-phenylbutan-1-amine (PubChem CID 103893916) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methyl-2-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methyl-2-phenylbutan-1-amine
PubChem CID103893916
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methyl-2-phenylbutan-1-amine
SMILESCCc1nn(C)cc1CNCC(c1ccccc1)C(C)C
InChIInChI=1S/C18H27N3/c1-5-18-16(13-21(4)20-18)11-19-12-17(14(2)3)15-9-7-6-8-10-15/h6-10,13-14,17,19H,5,11-12H2,1-4H3
InChIKeyNTIMQCNZFIFUGL-UHFFFAOYSA-N
XLogP3.51
TPSA29.85 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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,4-dimethylpentan-1-amine
CID 114200176
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 115885307
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylbutan-1-amine
CID 112549127
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 102810436
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-phenoxyethanamine
CID 112549164
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 102810418
3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 112670019
N-[(2-chlorophenyl)methyl]-3-methyl-2-phenylbutan-1-amine
CID 107875777
1-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol
CID 103893989
1-(2-ethoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine
CID 115885559
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 112549169
1-(2,3-dimethylphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine
CID 112550132

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methyl-2-phenylbutan-1-amine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methyl-2-phenylbutan-1-amine (CID 103893916) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methyl-2-phenylbutan-1-amine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methyl-2-phenylbutan-1-amine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methyl-2-phenylbutan-1-amine is CCc1nn(C)cc1CNCC(c1ccccc1)C(C)C.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methyl-2-phenylbutan-1-amine?
The InChIKey is NTIMQCNZFIFUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-5-18-16(13-21(4)20-18)11-19-12-17(14(2)3)15-9-7-6-8-10-15/h6-10,13-14,17,19H,5,11-12H2,1-4H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methyl-2-phenylbutan-1-amine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methyl-2-phenylbutan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methyl-2-phenylbutan-1-amine is sourced from PubChem (CID 103893916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).