1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine

C10H19N3 — CID 62730421

IUPAC1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
SMILESCCC(N)Cc1c(C)nn(C)c1C
InChIInChI=1S/C10H19N3/c1-5-9(11)6-10-7(2)12-13(4)8(10)3/h9H,5-6,11H2,1-4H3
InChIKeyNKQLNHPAULRIOT-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.32
Rot. Bonds3

About 1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine

1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine (PubChem CID 62730421) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine.

Molecular Properties

Compound Name1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
PubChem CID62730421
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
SMILESCCC(N)Cc1c(C)nn(C)c1C
InChIInChI=1S/C10H19N3/c1-5-9(11)6-10-7(2)12-13(4)8(10)3/h9H,5-6,11H2,1-4H3
InChIKeyNKQLNHPAULRIOT-UHFFFAOYSA-N
XLogP1.32
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 23005892
1-(1,3,5-trimethylpyrazol-4-yl)hex-4-yn-2-amine
CID 105112523
1-(4-bromophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105089319
1-[5-(3,5-dimethyl-1,2,4-triazol-1-yl)-1,3-dimethylpyrazol-4-yl]butan-2-amine
CID 63816431
1-[3,5-dimethyl-1-(3-methylsulfanylpropyl)pyrazol-4-yl]butan-2-amine
CID 113474357
1-(1-methylpyrazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105114109
1-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)butan-2-amine
CID 62730242
1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butan-2-amine
CID 62730420
1-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]butan-2-amine
CID 65178268
4-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol
CID 105122498
1-[3,5-dimethyl-1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]butan-2-amine
CID 106720927
1-[3,5-dimethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]butan-2-amine
CID 106720925

Frequently Asked Questions

What is the IUPAC name of 1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine?
The IUPAC name of 1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine (CID 62730421) is 1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine.
What is the SMILES notation for 1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine?
The canonical SMILES for 1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine is CCC(N)Cc1c(C)nn(C)c1C.
What is the InChIKey of 1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine?
The InChIKey is NKQLNHPAULRIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-5-9(11)6-10-7(2)12-13(4)8(10)3/h9H,5-6,11H2,1-4H3.
What are the key properties of 1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine?
1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine has a molecular weight of 181.28 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine is sourced from PubChem (CID 62730421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).