5-butyl-4-ethyl-1H-pyrazol-3-amine

C9H17N3 — CID 43670647

IUPAC5-butyl-4-ethyl-1H-pyrazol-3-amine
SMILESCCCCc1[nH]nc(N)c1CC
InChIInChI=1S/C9H17N3/c1-3-5-6-8-7(4-2)9(10)12-11-8/h3-6H2,1-2H3,(H3,10,11,12)
InChIKeyYSQFPFQBLCQSCT-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.90
Rot. Bonds4

About 5-butyl-4-ethyl-1H-pyrazol-3-amine

5-butyl-4-ethyl-1H-pyrazol-3-amine (PubChem CID 43670647) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 5-butyl-4-ethyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-butyl-4-ethyl-1H-pyrazol-3-amine
PubChem CID43670647
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name5-butyl-4-ethyl-1H-pyrazol-3-amine
SMILESCCCCc1[nH]nc(N)c1CC
InChIInChI=1S/C9H17N3/c1-3-5-6-8-7(4-2)9(10)12-11-8/h3-6H2,1-2H3,(H3,10,11,12)
InChIKeyYSQFPFQBLCQSCT-UHFFFAOYSA-N
XLogP1.90
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-ethyl-1H-pyrazol-3-amine?
The IUPAC name of 5-butyl-4-ethyl-1H-pyrazol-3-amine (CID 43670647) is 5-butyl-4-ethyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-butyl-4-ethyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-butyl-4-ethyl-1H-pyrazol-3-amine is CCCCc1[nH]nc(N)c1CC.
What is the InChIKey of 5-butyl-4-ethyl-1H-pyrazol-3-amine?
The InChIKey is YSQFPFQBLCQSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-5-6-8-7(4-2)9(10)12-11-8/h3-6H2,1-2H3,(H3,10,11,12).
What are the key properties of 5-butyl-4-ethyl-1H-pyrazol-3-amine?
5-butyl-4-ethyl-1H-pyrazol-3-amine has a molecular weight of 167.26 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-ethyl-1H-pyrazol-3-amine is sourced from PubChem (CID 43670647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).