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

C9H17N3 — CID 64502922

IUPAC4-(1-ethylpyrazol-4-yl)butan-1-amine
SMILESCCn1cc(CCCCN)cn1
InChIInChI=1S/C9H17N3/c1-2-12-8-9(7-11-12)5-3-4-6-10/h7-8H,2-6,10H2,1H3
InChIKeyREWPOXXJXLSCMT-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.18
Rot. Bonds5

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

4-(1-ethylpyrazol-4-yl)butan-1-amine (PubChem CID 64502922) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 4-(1-ethylpyrazol-4-yl)butan-1-amine.

Molecular Properties

Compound Name4-(1-ethylpyrazol-4-yl)butan-1-amine
PubChem CID64502922
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name4-(1-ethylpyrazol-4-yl)butan-1-amine
SMILESCCn1cc(CCCCN)cn1
InChIInChI=1S/C9H17N3/c1-2-12-8-9(7-11-12)5-3-4-6-10/h7-8H,2-6,10H2,1H3
InChIKeyREWPOXXJXLSCMT-UHFFFAOYSA-N
XLogP1.18
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]propan-1-amine
CID 114160006
6-(1-ethylpyrazol-4-yl)-2,2-dimethylhexan-3-amine
CID 64505120
6-(1-ethylpyrazol-4-yl)hexan-3-one
CID 64521135
6-(1-ethylpyrazol-4-yl)hexan-3-ol
CID 64514398
3-[1-(3-methylbut-2-enyl)pyrazol-4-yl]propan-1-amine
CID 122240842
1,4-dipentylpyrazole
CID 70562897
1,4-diethylpyrazole;ethane
CID 143641951
4-(1-ethylpyrazol-4-yl)oxybutan-1-amine
CID 116800659
2-[4-(3-aminopropyl)pyrazol-1-yl]acetonitrile
CID 122240562
4-(4-chloro-5-methylhexyl)-1-ethylpyrazole
CID 64508208
3-(1-methylpyrazol-4-yl)propan-1-amine
CID 47003365
3-(1-ethylpyrazol-4-yl)propanenitrile
CID 62128053

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpyrazol-4-yl)butan-1-amine?
The IUPAC name of 4-(1-ethylpyrazol-4-yl)butan-1-amine (CID 64502922) is 4-(1-ethylpyrazol-4-yl)butan-1-amine.
What is the SMILES notation for 4-(1-ethylpyrazol-4-yl)butan-1-amine?
The canonical SMILES for 4-(1-ethylpyrazol-4-yl)butan-1-amine is CCn1cc(CCCCN)cn1.
What is the InChIKey of 4-(1-ethylpyrazol-4-yl)butan-1-amine?
The InChIKey is REWPOXXJXLSCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-2-12-8-9(7-11-12)5-3-4-6-10/h7-8H,2-6,10H2,1H3.
What are the key properties of 4-(1-ethylpyrazol-4-yl)butan-1-amine?
4-(1-ethylpyrazol-4-yl)butan-1-amine has a molecular weight of 167.26 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpyrazol-4-yl)butan-1-amine is sourced from PubChem (CID 64502922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).