4-(1-propan-2-ylpyrazol-4-yl)but-3-en-1-amine

C10H17N3 — CID 170486607

IUPAC4-(1-propan-2-ylpyrazol-4-yl)but-3-en-1-amine
SMILESCC(C)n1cc(C=CCCN)cn1
InChIInChI=1S/C10H17N3/c1-9(2)13-8-10(7-12-13)5-3-4-6-11/h3,5,7-9H,4,6,11H2,1-2H3
InChIKeyUQSSXWKHHHRUDQ-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.83
Rot. Bonds4

About 4-(1-propan-2-ylpyrazol-4-yl)but-3-en-1-amine

4-(1-propan-2-ylpyrazol-4-yl)but-3-en-1-amine (PubChem CID 170486607) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 4-(1-propan-2-ylpyrazol-4-yl)but-3-en-1-amine.

Molecular Properties

Compound Name4-(1-propan-2-ylpyrazol-4-yl)but-3-en-1-amine
PubChem CID170486607
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name4-(1-propan-2-ylpyrazol-4-yl)but-3-en-1-amine
SMILESCC(C)n1cc(C=CCCN)cn1
InChIInChI=1S/C10H17N3/c1-9(2)13-8-10(7-12-13)5-3-4-6-11/h3,5,7-9H,4,6,11H2,1-2H3
InChIKeyUQSSXWKHHHRUDQ-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-propan-2-ylpyrazol-4-yl)but-3-en-1-amine?
The IUPAC name of 4-(1-propan-2-ylpyrazol-4-yl)but-3-en-1-amine (CID 170486607) is 4-(1-propan-2-ylpyrazol-4-yl)but-3-en-1-amine.
What is the SMILES notation for 4-(1-propan-2-ylpyrazol-4-yl)but-3-en-1-amine?
The canonical SMILES for 4-(1-propan-2-ylpyrazol-4-yl)but-3-en-1-amine is CC(C)n1cc(C=CCCN)cn1.
What is the InChIKey of 4-(1-propan-2-ylpyrazol-4-yl)but-3-en-1-amine?
The InChIKey is UQSSXWKHHHRUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-9(2)13-8-10(7-12-13)5-3-4-6-11/h3,5,7-9H,4,6,11H2,1-2H3.
What are the key properties of 4-(1-propan-2-ylpyrazol-4-yl)but-3-en-1-amine?
4-(1-propan-2-ylpyrazol-4-yl)but-3-en-1-amine has a molecular weight of 179.27 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propan-2-ylpyrazol-4-yl)but-3-en-1-amine is sourced from PubChem (CID 170486607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).