4-(2-ethylpyrazol-3-yl)pent-3-en-1-amine

C10H17N3 — CID 79592012

IUPAC4-(2-ethylpyrazol-3-yl)pent-3-en-1-amine
SMILESCCn1nccc1C(C)=CCCN
InChIInChI=1S/C10H17N3/c1-3-13-10(6-8-12-13)9(2)5-4-7-11/h5-6,8H,3-4,7,11H2,1-2H3
InChIKeyQSRAJINUGYEZRX-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.66
Rot. Bonds4

About 4-(2-ethylpyrazol-3-yl)pent-3-en-1-amine

4-(2-ethylpyrazol-3-yl)pent-3-en-1-amine (PubChem CID 79592012) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 4-(2-ethylpyrazol-3-yl)pent-3-en-1-amine.

Molecular Properties

Compound Name4-(2-ethylpyrazol-3-yl)pent-3-en-1-amine
PubChem CID79592012
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name4-(2-ethylpyrazol-3-yl)pent-3-en-1-amine
SMILESCCn1nccc1C(C)=CCCN
InChIInChI=1S/C10H17N3/c1-3-13-10(6-8-12-13)9(2)5-4-7-11/h5-6,8H,3-4,7,11H2,1-2H3
InChIKeyQSRAJINUGYEZRX-UHFFFAOYSA-N
XLogP1.66
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpyrazol-3-yl)pent-3-en-1-amine?
The IUPAC name of 4-(2-ethylpyrazol-3-yl)pent-3-en-1-amine (CID 79592012) is 4-(2-ethylpyrazol-3-yl)pent-3-en-1-amine.
What is the SMILES notation for 4-(2-ethylpyrazol-3-yl)pent-3-en-1-amine?
The canonical SMILES for 4-(2-ethylpyrazol-3-yl)pent-3-en-1-amine is CCn1nccc1C(C)=CCCN.
What is the InChIKey of 4-(2-ethylpyrazol-3-yl)pent-3-en-1-amine?
The InChIKey is QSRAJINUGYEZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-3-13-10(6-8-12-13)9(2)5-4-7-11/h5-6,8H,3-4,7,11H2,1-2H3.
What are the key properties of 4-(2-ethylpyrazol-3-yl)pent-3-en-1-amine?
4-(2-ethylpyrazol-3-yl)pent-3-en-1-amine has a molecular weight of 179.27 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpyrazol-3-yl)pent-3-en-1-amine is sourced from PubChem (CID 79592012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).