(1S)-1-[1-(3-methylbutyl)pyrazol-4-yl]ethanamine

C10H19N3 — CID 94575316

IUPAC(1S)-1-[1-(3-methylbutyl)pyrazol-4-yl]ethanamine
SMILESCC(C)CCn1cc([C@H](C)N)cn1
InChIInChI=1S/C10H19N3/c1-8(2)4-5-13-7-10(6-12-13)9(3)11/h6-9H,4-5,11H2,1-3H3/t9-/m0/s1
InChIKeyDTSBTGSXSKPGFF-VIFPVBQESA-N
MW181.28 g/mol
LogP1.95
Rot. Bonds4

About (1S)-1-[1-(3-methylbutyl)pyrazol-4-yl]ethanamine

(1S)-1-[1-(3-methylbutyl)pyrazol-4-yl]ethanamine (PubChem CID 94575316) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is (1S)-1-[1-(3-methylbutyl)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[1-(3-methylbutyl)pyrazol-4-yl]ethanamine
PubChem CID94575316
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name(1S)-1-[1-(3-methylbutyl)pyrazol-4-yl]ethanamine
SMILESCC(C)CCn1cc([C@H](C)N)cn1
InChIInChI=1S/C10H19N3/c1-8(2)4-5-13-7-10(6-12-13)9(3)11/h6-9H,4-5,11H2,1-3H3/t9-/m0/s1
InChIKeyDTSBTGSXSKPGFF-VIFPVBQESA-N
XLogP1.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.95
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
1-[1-(2-methylpropyl)pyrazol-4-yl]ethanamine
CID 62729328
1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine;hydrochloride
CID 135377882
N-[1-[1-(3-methylbutyl)pyrazol-4-yl]ethyl]propan-1-amine
CID 62731248
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
1-[1-(2-phenoxyethyl)pyrazol-4-yl]ethanamine
CID 114265871
4-[1-(3-methylbutyl)pyrazol-4-yl]aniline
CID 63328349
1-[1-[2-(4-nitrophenyl)ethyl]pyrazol-4-yl]ethanamine
CID 55111052
(1R)-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine
CID 94575350
1-(4-methylpentyl)pyrazol-4-ol
CID 116799439
2-methoxy-1-(1-propylpyrazol-4-yl)propan-1-amine
CID 79617281

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-(3-methylbutyl)pyrazol-4-yl]ethanamine?
The IUPAC name of (1S)-1-[1-(3-methylbutyl)pyrazol-4-yl]ethanamine (CID 94575316) is (1S)-1-[1-(3-methylbutyl)pyrazol-4-yl]ethanamine.
What is the SMILES notation for (1S)-1-[1-(3-methylbutyl)pyrazol-4-yl]ethanamine?
The canonical SMILES for (1S)-1-[1-(3-methylbutyl)pyrazol-4-yl]ethanamine is CC(C)CCn1cc([C@H](C)N)cn1.
What is the InChIKey of (1S)-1-[1-(3-methylbutyl)pyrazol-4-yl]ethanamine?
The InChIKey is DTSBTGSXSKPGFF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19N3/c1-8(2)4-5-13-7-10(6-12-13)9(3)11/h6-9H,4-5,11H2,1-3H3/t9-/m0/s1.
What are the key properties of (1S)-1-[1-(3-methylbutyl)pyrazol-4-yl]ethanamine?
(1S)-1-[1-(3-methylbutyl)pyrazol-4-yl]ethanamine has a molecular weight of 181.28 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-(3-methylbutyl)pyrazol-4-yl]ethanamine is sourced from PubChem (CID 94575316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).