3-(1-ethylpyrazol-4-yl)butan-1-amine

C9H17N3 — CID 81014220

IUPAC3-(1-ethylpyrazol-4-yl)butan-1-amine
SMILESCCn1cc(C(C)CCN)cn1
InChIInChI=1S/C9H17N3/c1-3-12-7-9(6-11-12)8(2)4-5-10/h6-8H,3-5,10H2,1-2H3
InChIKeyUSQKCSKTEUQGRS-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.36
Rot. Bonds4

About 3-(1-ethylpyrazol-4-yl)butan-1-amine

3-(1-ethylpyrazol-4-yl)butan-1-amine (PubChem CID 81014220) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 3-(1-ethylpyrazol-4-yl)butan-1-amine.

Molecular Properties

Compound Name3-(1-ethylpyrazol-4-yl)butan-1-amine
PubChem CID81014220
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name3-(1-ethylpyrazol-4-yl)butan-1-amine
SMILESCCn1cc(C(C)CCN)cn1
InChIInChI=1S/C9H17N3/c1-3-12-7-9(6-11-12)8(2)4-5-10/h6-8H,3-5,10H2,1-2H3
InChIKeyUSQKCSKTEUQGRS-UHFFFAOYSA-N
XLogP1.36
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(1-ethylpyrazol-4-yl)ethanol
CID 55264385
3-ethoxy-1-(1-ethylpyrazol-4-yl)propan-1-amine
CID 105109341
4-amino-3-(1-ethylpyrazol-4-yl)pentan-1-ol
CID 103570897
1-(1-ethylpyrazol-4-yl)propane-1,2-diol
CID 103452757
1-(1-ethylpyrazol-4-yl)pentan-1-amine
CID 79412573
3-[(1-ethylpyrazol-4-yl)methylsulfonyl]butan-1-amine
CID 81195208
1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole
CID 163865872
3-pyrazolo[1,5-a]pyrimidin-6-ylbutan-1-amine
CID 84771579
N-ethyl-1-(1-ethylpyrazol-4-yl)-N-methylethane-1,2-diamine
CID 103569436
1-(1-ethylpyrazol-4-yl)decan-1-amine
CID 115816084
(1S)-1-(1-ethylpyrazol-4-yl)-N-[(2-ethyltriazol-4-yl)methyl]ethanamine
CID 164632644
1-(1-ethylpyrazol-4-yl)-2-methoxy-3-methylbutan-1-amine
CID 116719624

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpyrazol-4-yl)butan-1-amine?
The IUPAC name of 3-(1-ethylpyrazol-4-yl)butan-1-amine (CID 81014220) is 3-(1-ethylpyrazol-4-yl)butan-1-amine.
What is the SMILES notation for 3-(1-ethylpyrazol-4-yl)butan-1-amine?
The canonical SMILES for 3-(1-ethylpyrazol-4-yl)butan-1-amine is CCn1cc(C(C)CCN)cn1.
What is the InChIKey of 3-(1-ethylpyrazol-4-yl)butan-1-amine?
The InChIKey is USQKCSKTEUQGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-12-7-9(6-11-12)8(2)4-5-10/h6-8H,3-5,10H2,1-2H3.
What are the key properties of 3-(1-ethylpyrazol-4-yl)butan-1-amine?
3-(1-ethylpyrazol-4-yl)butan-1-amine has a molecular weight of 167.26 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrazol-4-yl)butan-1-amine is sourced from PubChem (CID 81014220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).