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

C10H17N3 — CID 64779535

IUPAC4-(3-cyclopropylpyrazol-1-yl)butan-1-amine
SMILESNCCCCn1ccc(C2CC2)n1
InChIInChI=1S/C10H17N3/c11-6-1-2-7-13-8-5-10(12-13)9-3-4-9/h5,8-9H,1-4,6-7,11H2
InChIKeyRJQRDAUPWUHDOD-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.50
Rot. Bonds5

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

4-(3-cyclopropylpyrazol-1-yl)butan-1-amine (PubChem CID 64779535) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 4-(3-cyclopropylpyrazol-1-yl)butan-1-amine.

Molecular Properties

Compound Name4-(3-cyclopropylpyrazol-1-yl)butan-1-amine
PubChem CID64779535
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name4-(3-cyclopropylpyrazol-1-yl)butan-1-amine
SMILESNCCCCn1ccc(C2CC2)n1
InChIInChI=1S/C10H17N3/c11-6-1-2-7-13-8-5-10(12-13)9-3-4-9/h5,8-9H,1-4,6-7,11H2
InChIKeyRJQRDAUPWUHDOD-UHFFFAOYSA-N
XLogP1.50
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.50
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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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropylpyrazol-1-yl)butan-1-amine?
The IUPAC name of 4-(3-cyclopropylpyrazol-1-yl)butan-1-amine (CID 64779535) is 4-(3-cyclopropylpyrazol-1-yl)butan-1-amine.
What is the SMILES notation for 4-(3-cyclopropylpyrazol-1-yl)butan-1-amine?
The canonical SMILES for 4-(3-cyclopropylpyrazol-1-yl)butan-1-amine is NCCCCn1ccc(C2CC2)n1.
What is the InChIKey of 4-(3-cyclopropylpyrazol-1-yl)butan-1-amine?
The InChIKey is RJQRDAUPWUHDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c11-6-1-2-7-13-8-5-10(12-13)9-3-4-9/h5,8-9H,1-4,6-7,11H2.
What are the key properties of 4-(3-cyclopropylpyrazol-1-yl)butan-1-amine?
4-(3-cyclopropylpyrazol-1-yl)butan-1-amine has a molecular weight of 179.27 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropylpyrazol-1-yl)butan-1-amine is sourced from PubChem (CID 64779535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).