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

C8H14ClN3 — CID 84770615

IUPAC2-(5-chloro-1-ethylpyrazol-4-yl)propan-2-amine
SMILESCCn1ncc(C(C)(C)N)c1Cl
InChIInChI=1S/C8H14ClN3/c1-4-12-7(9)6(5-11-12)8(2,3)10/h5H,4,10H2,1-3H3
InChIKeyMQVILGNPPQUFBC-UHFFFAOYSA-N
MW187.67 g/mol
LogP1.75
Rot. Bonds2

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

2-(5-chloro-1-ethylpyrazol-4-yl)propan-2-amine (PubChem CID 84770615) has the molecular formula C8H14ClN3 and a molecular weight of 187.67 g/mol. Its IUPAC name is 2-(5-chloro-1-ethylpyrazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name2-(5-chloro-1-ethylpyrazol-4-yl)propan-2-amine
PubChem CID84770615
Molecular FormulaC8H14ClN3
Molecular Weight187.67 g/mol
Exact Mass187.09
IUPAC Name2-(5-chloro-1-ethylpyrazol-4-yl)propan-2-amine
SMILESCCn1ncc(C(C)(C)N)c1Cl
InChIInChI=1S/C8H14ClN3/c1-4-12-7(9)6(5-11-12)8(2,3)10/h5H,4,10H2,1-3H3
InChIKeyMQVILGNPPQUFBC-UHFFFAOYSA-N
XLogP1.75
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-chloro-1-ethylpyrazol-4-yl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-chloro-1-ethylpyrazol-4-yl)methyl]hydroxylamine
CID 84767030
2-(5-chloro-1-ethylpyrazol-4-yl)-N-methylethanamine
CID 84770611
1-[2-(5-chloro-1-ethylpyrazol-4-yl)ethyl]cyclopropan-1-amine
CID 105467292
5-tert-butyl-1-ethyl-4-methylpyrazole
CID 59146019
4-tert-butyl-5-chloro-1-(3-methoxypropyl)pyrazole
CID 118371019
1-(5-chloro-1-ethylpyrazol-4-yl)cyclohexan-1-amine
CID 84791977
3-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-3-methylbutan-1-amine
CID 114667019
4-chloro-1-ethyl-5-fluoropyrazole
CID 105429239
[5-chloro-1-(2,2-dimethylpropyl)pyrazol-4-yl]methanamine
CID 115068515
3-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-amine
CID 114666527
1-[2-(5-chloro-1-ethylpyrazol-4-yl)ethyl]piperazine
CID 84801861
[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]methanamine
CID 66440321

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-ethylpyrazol-4-yl)propan-2-amine?
The IUPAC name of 2-(5-chloro-1-ethylpyrazol-4-yl)propan-2-amine (CID 84770615) is 2-(5-chloro-1-ethylpyrazol-4-yl)propan-2-amine.
What is the SMILES notation for 2-(5-chloro-1-ethylpyrazol-4-yl)propan-2-amine?
The canonical SMILES for 2-(5-chloro-1-ethylpyrazol-4-yl)propan-2-amine is CCn1ncc(C(C)(C)N)c1Cl.
What is the InChIKey of 2-(5-chloro-1-ethylpyrazol-4-yl)propan-2-amine?
The InChIKey is MQVILGNPPQUFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3/c1-4-12-7(9)6(5-11-12)8(2,3)10/h5H,4,10H2,1-3H3.
What are the key properties of 2-(5-chloro-1-ethylpyrazol-4-yl)propan-2-amine?
2-(5-chloro-1-ethylpyrazol-4-yl)propan-2-amine has a molecular weight of 187.67 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-ethylpyrazol-4-yl)propan-2-amine is sourced from PubChem (CID 84770615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).