1-(2-ethyl-5-methylpyrazol-3-yl)-3-methoxybutan-2-amine

C11H21N3O — CID 79616916

IUPAC1-(2-ethyl-5-methylpyrazol-3-yl)-3-methoxybutan-2-amine
SMILESCCn1nc(C)cc1CC(N)C(C)OC
InChIInChI=1S/C11H21N3O/c1-5-14-10(6-8(2)13-14)7-11(12)9(3)15-4/h6,9,11H,5,7,12H2,1-4H3
InChIKeyDPGHQFRGYHFFQL-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.12
Rot. Bonds5

About 1-(2-ethyl-5-methylpyrazol-3-yl)-3-methoxybutan-2-amine

1-(2-ethyl-5-methylpyrazol-3-yl)-3-methoxybutan-2-amine (PubChem CID 79616916) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylpyrazol-3-yl)-3-methoxybutan-2-amine.

Molecular Properties

Compound Name1-(2-ethyl-5-methylpyrazol-3-yl)-3-methoxybutan-2-amine
PubChem CID79616916
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-(2-ethyl-5-methylpyrazol-3-yl)-3-methoxybutan-2-amine
SMILESCCn1nc(C)cc1CC(N)C(C)OC
InChIInChI=1S/C11H21N3O/c1-5-14-10(6-8(2)13-14)7-11(12)9(3)15-4/h6,9,11H,5,7,12H2,1-4H3
InChIKeyDPGHQFRGYHFFQL-UHFFFAOYSA-N
XLogP1.12
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylpyrazol-3-yl)-3-methoxybutan-2-amine
CID 79617156
1-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ylhydrazine
CID 105201198
3-N,3-N-diethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylbutane-2,3-diamine
CID 79053571
[1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylpentan-2-yl]hydrazine
CID 105219543
1-(2,6-dimethoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002556
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103373928
5-[2-(chloromethyl)-4-methylpentyl]-1-ethyl-3-methylpyrazole
CID 66036324
5-[2-(bromomethyl)-4-methylpentyl]-1-ethyl-3-methylpyrazole
CID 66047676
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanamine
CID 105162414
1-(2-ethyl-5-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103474996
3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-3-N,3-N-dimethylpentane-2,3-diamine
CID 79062269
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 116766289

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-3-methoxybutan-2-amine?
The IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-3-methoxybutan-2-amine (CID 79616916) is 1-(2-ethyl-5-methylpyrazol-3-yl)-3-methoxybutan-2-amine.
What is the SMILES notation for 1-(2-ethyl-5-methylpyrazol-3-yl)-3-methoxybutan-2-amine?
The canonical SMILES for 1-(2-ethyl-5-methylpyrazol-3-yl)-3-methoxybutan-2-amine is CCn1nc(C)cc1CC(N)C(C)OC.
What is the InChIKey of 1-(2-ethyl-5-methylpyrazol-3-yl)-3-methoxybutan-2-amine?
The InChIKey is DPGHQFRGYHFFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-5-14-10(6-8(2)13-14)7-11(12)9(3)15-4/h6,9,11H,5,7,12H2,1-4H3.
What are the key properties of 1-(2-ethyl-5-methylpyrazol-3-yl)-3-methoxybutan-2-amine?
1-(2-ethyl-5-methylpyrazol-3-yl)-3-methoxybutan-2-amine has a molecular weight of 211.31 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methylpyrazol-3-yl)-3-methoxybutan-2-amine is sourced from PubChem (CID 79616916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).