2-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylethanamine

C9H14ClN3 — CID 83831706

IUPAC2-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylethanamine
SMILESCn1ncc(Cl)c1C(CN)C1CC1
InChIInChI=1S/C9H14ClN3/c1-13-9(8(10)5-12-13)7(4-11)6-2-3-6/h5-7H,2-4,11H2,1H3
InChIKeyNEVJQXRWBJFKPJ-UHFFFAOYSA-N
MW199.69 g/mol
LogP1.53
Rot. Bonds3

About 2-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylethanamine

2-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylethanamine (PubChem CID 83831706) has the molecular formula C9H14ClN3 and a molecular weight of 199.69 g/mol. Its IUPAC name is 2-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylethanamine.

Molecular Properties

Compound Name2-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylethanamine
PubChem CID83831706
Molecular FormulaC9H14ClN3
Molecular Weight199.69 g/mol
Exact Mass199.09
IUPAC Name2-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylethanamine
SMILESCn1ncc(Cl)c1C(CN)C1CC1
InChIInChI=1S/C9H14ClN3/c1-13-9(8(10)5-12-13)7(4-11)6-2-3-6/h5-7H,2-4,11H2,1H3
InChIKeyNEVJQXRWBJFKPJ-UHFFFAOYSA-N
XLogP1.53
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.69
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-1-methylpyrazol-5-yl)propan-1-amine
CID 83827347
3-bicyclo[3.1.0]hexanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 105046647
(4-chloro-1-methylpyrazol-5-yl)-(oxan-4-yl)methanamine
CID 114654805
4-[(4-chloro-1-methylpyrazol-5-yl)-fluoromethyl]piperidine
CID 114667700
[1-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropyl-2-methoxyethyl]hydrazine
CID 105272836
(4-chloro-1-methylpyrazol-5-yl)-(3-methylcyclopentyl)methanol
CID 114644064
1-(4-chloro-1-methylpyrazol-5-yl)-2-cycloheptylethanol
CID 115836779
2-cyclopropyl-2-(2-methylpyrazol-3-yl)ethanamine
CID 83826852
3-amino-1-(4-chloro-1-methylpyrazol-5-yl)propan-1-ol
CID 83829412
N-[(4-chloro-1-methylpyrazol-5-yl)-cyclohexylmethyl]ethanamine
CID 114647881
N-(2-amino-1-cyclopropylethyl)-4-chloro-N,1-dimethylpyrazole-5-sulfonamide
CID 106315477
[1-(4-chloro-1-methylpyrazol-5-yl)-3-cyclopentylpropyl]hydrazine
CID 105338877

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylethanamine?
The IUPAC name of 2-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylethanamine (CID 83831706) is 2-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylethanamine.
What is the SMILES notation for 2-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylethanamine?
The canonical SMILES for 2-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylethanamine is Cn1ncc(Cl)c1C(CN)C1CC1.
What is the InChIKey of 2-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylethanamine?
The InChIKey is NEVJQXRWBJFKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c1-13-9(8(10)5-12-13)7(4-11)6-2-3-6/h5-7H,2-4,11H2,1H3.
What are the key properties of 2-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylethanamine?
2-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylethanamine has a molecular weight of 199.69 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylethanamine is sourced from PubChem (CID 83831706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).