N-ethyl-4-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)butan-2-amine

C17H25N3 — CID 105114186

IUPACN-ethyl-4-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)butan-2-amine
SMILESCCNC(CCc1ccccc1C)Cc1cnn(C)c1
InChIInChI=1S/C17H25N3/c1-4-18-17(11-15-12-19-20(3)13-15)10-9-16-8-6-5-7-14(16)2/h5-8,12-13,17-18H,4,9-11H2,1-3H3
InChIKeyHKZKNKBVOJCJKH-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.88
Rot. Bonds7

About N-ethyl-4-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)butan-2-amine

N-ethyl-4-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)butan-2-amine (PubChem CID 105114186) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-ethyl-4-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)butan-2-amine
PubChem CID105114186
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-ethyl-4-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)butan-2-amine
SMILESCCNC(CCc1ccccc1C)Cc1cnn(C)c1
InChIInChI=1S/C17H25N3/c1-4-18-17(11-15-12-19-20(3)13-15)10-9-16-8-6-5-7-14(16)2/h5-8,12-13,17-18H,4,9-11H2,1-3H3
InChIKeyHKZKNKBVOJCJKH-UHFFFAOYSA-N
XLogP2.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103009375
2-N-ethyl-1-N,1-N-dimethyl-4-(1-methylpyrazol-4-yl)butane-1,2-diamine
CID 103011226
N-methyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-2-amine
CID 62126117
N-ethyl-4-(1-methylpyrazol-4-yl)-1-phenoxybutan-2-amine
CID 103009843
N-ethyl-1-(2-methylphenyl)-4-phenylbutan-2-amine
CID 61065597
N-ethyl-1-(2-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103030444
N-ethyl-1-(3-fluorophenyl)-4-(2-methylphenyl)butan-2-amine
CID 62367606
N-methyl-2-[(2-methylphenyl)methyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62515440
N-ethyl-1-(1-methylpyrazol-4-yl)hex-5-en-3-amine
CID 103012216
1-cyclopropyl-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103011602
N,5-diethyl-1-(2-methylphenyl)heptan-3-amine
CID 105176885
N-ethyl-1-(2-methylphenyl)heptan-3-amine
CID 105125674

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)butan-2-amine?
The IUPAC name of N-ethyl-4-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)butan-2-amine (CID 105114186) is N-ethyl-4-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-4-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)butan-2-amine?
The canonical SMILES for N-ethyl-4-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)butan-2-amine is CCNC(CCc1ccccc1C)Cc1cnn(C)c1.
What is the InChIKey of N-ethyl-4-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)butan-2-amine?
The InChIKey is HKZKNKBVOJCJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-18-17(11-15-12-19-20(3)13-15)10-9-16-8-6-5-7-14(16)2/h5-8,12-13,17-18H,4,9-11H2,1-3H3.
What are the key properties of N-ethyl-4-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)butan-2-amine?
N-ethyl-4-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)butan-2-amine has a molecular weight of 271.41 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)butan-2-amine is sourced from PubChem (CID 105114186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).