1-[1-(2-methylpropyl)pyrazol-4-yl]ethanamine

C9H17N3 — CID 62729328

IUPAC1-[1-(2-methylpropyl)pyrazol-4-yl]ethanamine
SMILESCC(C)Cn1cc(C(C)N)cn1
InChIInChI=1S/C9H17N3/c1-7(2)5-12-6-9(4-11-12)8(3)10/h4,6-8H,5,10H2,1-3H3
InChIKeyAYJZYDXLZMMMLZ-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.56
Rot. Bonds3

About 1-[1-(2-methylpropyl)pyrazol-4-yl]ethanamine

1-[1-(2-methylpropyl)pyrazol-4-yl]ethanamine (PubChem CID 62729328) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-[1-(2-methylpropyl)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-methylpropyl)pyrazol-4-yl]ethanamine
PubChem CID62729328
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-[1-(2-methylpropyl)pyrazol-4-yl]ethanamine
SMILESCC(C)Cn1cc(C(C)N)cn1
InChIInChI=1S/C9H17N3/c1-7(2)5-12-6-9(4-11-12)8(3)10/h4,6-8H,5,10H2,1-3H3
InChIKeyAYJZYDXLZMMMLZ-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[1-(3-methylbutyl)pyrazol-4-yl]ethanamine
CID 94575315
(1S)-1-[1-(3-methylbutyl)pyrazol-4-yl]ethanamine
CID 94575316
2-amino-1-[1-(2-methylpropyl)pyrazol-4-yl]ethanol
CID 82407041
1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine;hydrochloride
CID 135377882
1-[1-(2-methylpropyl)pyrazol-4-yl]-3-sulfanylpropane-1,2-diol
CID 170821000
[1-(2-methylpropyl)pyrazol-4-yl]methanol
CID 62729998
1-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]ethanamine
CID 103037028
1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]ethanamine
CID 103014913
(1R)-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine
CID 94575350
2-[4-(1-aminoethyl)pyrazol-1-yl]butanenitrile
CID 130502353
1-[1-(2-phenoxyethyl)pyrazol-4-yl]ethanamine
CID 114265871
1-[1-(2-methylpropyl)pyrazol-4-yl]propan-1-one
CID 62728545

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropyl)pyrazol-4-yl]ethanamine?
The IUPAC name of 1-[1-(2-methylpropyl)pyrazol-4-yl]ethanamine (CID 62729328) is 1-[1-(2-methylpropyl)pyrazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(2-methylpropyl)pyrazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-(2-methylpropyl)pyrazol-4-yl]ethanamine is CC(C)Cn1cc(C(C)N)cn1.
What is the InChIKey of 1-[1-(2-methylpropyl)pyrazol-4-yl]ethanamine?
The InChIKey is AYJZYDXLZMMMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-7(2)5-12-6-9(4-11-12)8(3)10/h4,6-8H,5,10H2,1-3H3.
What are the key properties of 1-[1-(2-methylpropyl)pyrazol-4-yl]ethanamine?
1-[1-(2-methylpropyl)pyrazol-4-yl]ethanamine has a molecular weight of 167.26 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropyl)pyrazol-4-yl]ethanamine is sourced from PubChem (CID 62729328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).