2-(2,5-dimethylpyrazol-3-yl)butan-1-amine

C9H17N3 — CID 83827000

IUPAC2-(2,5-dimethylpyrazol-3-yl)butan-1-amine
SMILESCCC(CN)c1cc(C)nn1C
InChIInChI=1S/C9H17N3/c1-4-8(6-10)9-5-7(2)11-12(9)3/h5,8H,4,6,10H2,1-3H3
InChIKeyBOCOJSUZTGMHBV-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.18
Rot. Bonds3

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

2-(2,5-dimethylpyrazol-3-yl)butan-1-amine (PubChem CID 83827000) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)butan-1-amine
PubChem CID83827000
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)butan-1-amine
SMILESCCC(CN)c1cc(C)nn1C
InChIInChI=1S/C9H17N3/c1-4-8(6-10)9-5-7(2)11-12(9)3/h5,8H,4,6,10H2,1-3H3
InChIKeyBOCOJSUZTGMHBV-UHFFFAOYSA-N
XLogP1.18
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-heptan-4-yl-1,3-dimethylpyrazole
CID 143472478
3-amino-2-(2,5-dimethylpyrazol-3-yl)propanoic acid
CID 82601652
3-amino-1-(2,5-dimethylpyrazol-3-yl)propan-1-ol
CID 82598009
1-[1-(2,5-dimethylpyrazol-3-yl)propyl]cyclopropan-1-amine
CID 83907625
4-[2-amino-1-(2,5-dimethylpyrazol-3-yl)ethyl]phenol
CID 83987249
1-(2,5-dimethylpyrazol-3-yl)-3-ethylpentan-1-ol
CID 105122554
1-(2,5-dimethylpyrazol-3-yl)heptan-1-amine
CID 105126222
(2,5-dimethylpyrazol-3-yl)-(1-ethylpyrazol-4-yl)methanamine
CID 105109125
2-(2,5-dimethylpyrazol-3-yl)sulfanyl-3,3,3-trifluoropropan-1-amine
CID 62408594
3-amino-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol
CID 82598008
2-(2,6-dimethyl-4-pyridinyl)butan-1-amine
CID 82409825
1-(2,5-dimethylpyrazol-3-yl)octylhydrazine
CID 105293599

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)butan-1-amine?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)butan-1-amine (CID 83827000) is 2-(2,5-dimethylpyrazol-3-yl)butan-1-amine.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)butan-1-amine?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)butan-1-amine is CCC(CN)c1cc(C)nn1C.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)butan-1-amine?
The InChIKey is BOCOJSUZTGMHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-4-8(6-10)9-5-7(2)11-12(9)3/h5,8H,4,6,10H2,1-3H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)butan-1-amine?
2-(2,5-dimethylpyrazol-3-yl)butan-1-amine has a molecular weight of 167.26 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)butan-1-amine is sourced from PubChem (CID 83827000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).