1-(2-ethyl-5-methylpyrazol-3-yl)-4-(4-methylphenyl)butan-2-amine

C17H25N3 — CID 105162471

IUPAC1-(2-ethyl-5-methylpyrazol-3-yl)-4-(4-methylphenyl)butan-2-amine
SMILESCCn1nc(C)cc1CC(N)CCc1ccc(C)cc1
InChIInChI=1S/C17H25N3/c1-4-20-17(11-14(3)19-20)12-16(18)10-9-15-7-5-13(2)6-8-15/h5-8,11,16H,4,9-10,12,18H2,1-3H3
InChIKeyGNDAVTLBNHKVQJ-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.02
Rot. Bonds6

About 1-(2-ethyl-5-methylpyrazol-3-yl)-4-(4-methylphenyl)butan-2-amine

1-(2-ethyl-5-methylpyrazol-3-yl)-4-(4-methylphenyl)butan-2-amine (PubChem CID 105162471) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylpyrazol-3-yl)-4-(4-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2-ethyl-5-methylpyrazol-3-yl)-4-(4-methylphenyl)butan-2-amine
PubChem CID105162471
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-(2-ethyl-5-methylpyrazol-3-yl)-4-(4-methylphenyl)butan-2-amine
SMILESCCn1nc(C)cc1CC(N)CCc1ccc(C)cc1
InChIInChI=1S/C17H25N3/c1-4-20-17(11-14(3)19-20)12-16(18)10-9-15-7-5-13(2)6-8-15/h5-8,11,16H,4,9-10,12,18H2,1-3H3
InChIKeyGNDAVTLBNHKVQJ-UHFFFAOYSA-N
XLogP3.02
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(4-methylphenyl)butan-2-amine
CID 105160058
[1-(2-ethyl-5-methylpyrazol-3-yl)-4-phenylbutan-2-yl]hydrazine
CID 105205592
1-(2-ethyl-5-methylpyrazol-3-yl)-4-(4-methylphenyl)butan-2-one
CID 105111942
1-(2-ethyl-5-methylpyrazol-3-yl)-4-(3-methylphenyl)butan-2-ol
CID 105109667
3-(2-ethyl-5-methylpyrazol-3-yl)-2-(4-methylphenyl)propan-1-ol
CID 79436904
5-[3-chloro-2-(4-methylphenyl)propyl]-1-ethyl-3-methylpyrazole
CID 79435964
1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105162422
1-(2-ethyl-5-methylpyrazol-3-yl)-3-methoxybutan-2-amine
CID 79616916
4-(4-methylphenyl)-1-phenylbutan-2-amine
CID 55084075
1-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ylhydrazine
CID 105201198
1-(1,4-dimethylpiperazin-2-yl)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-amine
CID 115415163
4-(4-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105162668

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-4-(4-methylphenyl)butan-2-amine?
The IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-4-(4-methylphenyl)butan-2-amine (CID 105162471) is 1-(2-ethyl-5-methylpyrazol-3-yl)-4-(4-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-(2-ethyl-5-methylpyrazol-3-yl)-4-(4-methylphenyl)butan-2-amine?
The canonical SMILES for 1-(2-ethyl-5-methylpyrazol-3-yl)-4-(4-methylphenyl)butan-2-amine is CCn1nc(C)cc1CC(N)CCc1ccc(C)cc1.
What is the InChIKey of 1-(2-ethyl-5-methylpyrazol-3-yl)-4-(4-methylphenyl)butan-2-amine?
The InChIKey is GNDAVTLBNHKVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-20-17(11-14(3)19-20)12-16(18)10-9-15-7-5-13(2)6-8-15/h5-8,11,16H,4,9-10,12,18H2,1-3H3.
What are the key properties of 1-(2-ethyl-5-methylpyrazol-3-yl)-4-(4-methylphenyl)butan-2-amine?
1-(2-ethyl-5-methylpyrazol-3-yl)-4-(4-methylphenyl)butan-2-amine has a molecular weight of 271.41 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methylpyrazol-3-yl)-4-(4-methylphenyl)butan-2-amine is sourced from PubChem (CID 105162471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).