2-(4-chloropyrazol-1-yl)butan-1-amine

C7H12ClN3 — CID 25248254

IUPAC2-(4-chloropyrazol-1-yl)butan-1-amine
SMILESCCC(CN)n1cc(Cl)cn1
InChIInChI=1S/C7H12ClN3/c1-2-7(3-9)11-5-6(8)4-10-11/h4-5,7H,2-3,9H2,1H3
InChIKeyNBLKYAFDSSHUCM-UHFFFAOYSA-N
MW173.65 g/mol
LogP1.45
Rot. Bonds3

About 2-(4-chloropyrazol-1-yl)butan-1-amine

2-(4-chloropyrazol-1-yl)butan-1-amine (PubChem CID 25248254) has the molecular formula C7H12ClN3 and a molecular weight of 173.65 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)butan-1-amine.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)butan-1-amine
PubChem CID25248254
Molecular FormulaC7H12ClN3
Molecular Weight173.65 g/mol
Exact Mass173.07
IUPAC Name2-(4-chloropyrazol-1-yl)butan-1-amine
SMILESCCC(CN)n1cc(Cl)cn1
InChIInChI=1S/C7H12ClN3/c1-2-7(3-9)11-5-6(8)4-10-11/h4-5,7H,2-3,9H2,1H3
InChIKeyNBLKYAFDSSHUCM-UHFFFAOYSA-N
XLogP1.45
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.65
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)butan-1-amine?
The IUPAC name of 2-(4-chloropyrazol-1-yl)butan-1-amine (CID 25248254) is 2-(4-chloropyrazol-1-yl)butan-1-amine.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)butan-1-amine?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)butan-1-amine is CCC(CN)n1cc(Cl)cn1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)butan-1-amine?
The InChIKey is NBLKYAFDSSHUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3/c1-2-7(3-9)11-5-6(8)4-10-11/h4-5,7H,2-3,9H2,1H3.
What are the key properties of 2-(4-chloropyrazol-1-yl)butan-1-amine?
2-(4-chloropyrazol-1-yl)butan-1-amine has a molecular weight of 173.65 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)butan-1-amine is sourced from PubChem (CID 25248254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).