3-(5-chloro-1-cyclopropylpyrazol-4-yl)propan-1-amine

C9H14ClN3 — CID 115021879

IUPAC3-(5-chloro-1-cyclopropylpyrazol-4-yl)propan-1-amine
SMILESNCCCc1cnn(C2CC2)c1Cl
InChIInChI=1S/C9H14ClN3/c10-9-7(2-1-5-11)6-12-13(9)8-3-4-8/h6,8H,1-5,11H2
InChIKeyJLWLSLNFLNYTIG-UHFFFAOYSA-N
MW199.68 g/mol
LogP1.76
Rot. Bonds4

About 3-(5-chloro-1-cyclopropylpyrazol-4-yl)propan-1-amine

3-(5-chloro-1-cyclopropylpyrazol-4-yl)propan-1-amine (PubChem CID 115021879) has the molecular formula C9H14ClN3 and a molecular weight of 199.68 g/mol. Its IUPAC name is 3-(5-chloro-1-cyclopropylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-1-cyclopropylpyrazol-4-yl)propan-1-amine
PubChem CID115021879
Molecular FormulaC9H14ClN3
Molecular Weight199.68 g/mol
Exact Mass199.09
IUPAC Name3-(5-chloro-1-cyclopropylpyrazol-4-yl)propan-1-amine
SMILESNCCCc1cnn(C2CC2)c1Cl
InChIInChI=1S/C9H14ClN3/c10-9-7(2-1-5-11)6-12-13(9)8-3-4-8/h6,8H,1-5,11H2
InChIKeyJLWLSLNFLNYTIG-UHFFFAOYSA-N
XLogP1.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-1-cyclopropylpyrazol-4-yl)ethanamine
CID 115017021
(5-chloro-1-cyclopropylpyrazol-4-yl)methanamine
CID 115013966
3-(5-bromo-1-cyclopentylpyrazol-4-yl)propan-1-amine
CID 115050624
3-(1-cyclopropyl-5-methoxypyrazol-4-yl)propan-1-amine
CID 115068977
2-(5-chloro-1-cyclobutylpyrazol-4-yl)-N-methylethanamine
CID 115028565
3-(1-cyclobutyl-5-methoxypyrazol-4-yl)propan-1-amine
CID 115068985
3-(1-cyclohexyl-5-methoxypyrazol-4-yl)propan-1-amine
CID 115069001
3-[5-chloro-1-(2,2-dimethylpropyl)pyrazol-4-yl]propan-1-amine
CID 115068517
3-[5-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine
CID 115068648
3-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]propan-1-amine
CID 115068487
3-[5-chloro-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 115068649
2-(1-cyclohexyl-5-fluoropyrazol-4-yl)ethanamine
CID 115027444

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-cyclopropylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 3-(5-chloro-1-cyclopropylpyrazol-4-yl)propan-1-amine (CID 115021879) is 3-(5-chloro-1-cyclopropylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 3-(5-chloro-1-cyclopropylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 3-(5-chloro-1-cyclopropylpyrazol-4-yl)propan-1-amine is NCCCc1cnn(C2CC2)c1Cl.
What is the InChIKey of 3-(5-chloro-1-cyclopropylpyrazol-4-yl)propan-1-amine?
The InChIKey is JLWLSLNFLNYTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c10-9-7(2-1-5-11)6-12-13(9)8-3-4-8/h6,8H,1-5,11H2.
What are the key properties of 3-(5-chloro-1-cyclopropylpyrazol-4-yl)propan-1-amine?
3-(5-chloro-1-cyclopropylpyrazol-4-yl)propan-1-amine has a molecular weight of 199.68 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1-cyclopropylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 115021879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).