2-(5-chloro-1-propan-2-ylpyrazol-4-yl)propan-1-amine

C9H16ClN3 — CID 84776613

IUPAC2-(5-chloro-1-propan-2-ylpyrazol-4-yl)propan-1-amine
SMILESCC(CN)c1cnn(C(C)C)c1Cl
InChIInChI=1S/C9H16ClN3/c1-6(2)13-9(10)8(5-12-13)7(3)4-11/h5-7H,4,11H2,1-3H3
InChIKeyUHUPIPVFCJJVBW-UHFFFAOYSA-N
MW201.70 g/mol
LogP2.18
Rot. Bonds3

About 2-(5-chloro-1-propan-2-ylpyrazol-4-yl)propan-1-amine

2-(5-chloro-1-propan-2-ylpyrazol-4-yl)propan-1-amine (PubChem CID 84776613) has the molecular formula C9H16ClN3 and a molecular weight of 201.70 g/mol. Its IUPAC name is 2-(5-chloro-1-propan-2-ylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(5-chloro-1-propan-2-ylpyrazol-4-yl)propan-1-amine
PubChem CID84776613
Molecular FormulaC9H16ClN3
Molecular Weight201.70 g/mol
Exact Mass201.10
IUPAC Name2-(5-chloro-1-propan-2-ylpyrazol-4-yl)propan-1-amine
SMILESCC(CN)c1cnn(C(C)C)c1Cl
InChIInChI=1S/C9H16ClN3/c1-6(2)13-9(10)8(5-12-13)7(3)4-11/h5-7H,4,11H2,1-3H3
InChIKeyUHUPIPVFCJJVBW-UHFFFAOYSA-N
XLogP2.18
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-propan-2-ylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 2-(5-chloro-1-propan-2-ylpyrazol-4-yl)propan-1-amine (CID 84776613) is 2-(5-chloro-1-propan-2-ylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 2-(5-chloro-1-propan-2-ylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 2-(5-chloro-1-propan-2-ylpyrazol-4-yl)propan-1-amine is CC(CN)c1cnn(C(C)C)c1Cl.
What is the InChIKey of 2-(5-chloro-1-propan-2-ylpyrazol-4-yl)propan-1-amine?
The InChIKey is UHUPIPVFCJJVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3/c1-6(2)13-9(10)8(5-12-13)7(3)4-11/h5-7H,4,11H2,1-3H3.
What are the key properties of 2-(5-chloro-1-propan-2-ylpyrazol-4-yl)propan-1-amine?
2-(5-chloro-1-propan-2-ylpyrazol-4-yl)propan-1-amine has a molecular weight of 201.70 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-propan-2-ylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 84776613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).