1-(2-chloro-2-phenylethyl)pyrazol-4-amine

C11H12ClN3 — CID 142785570

IUPAC1-(2-chloro-2-phenylethyl)pyrazol-4-amine
SMILESNc1cnn(CC(Cl)c2ccccc2)c1
InChIInChI=1S/C11H12ClN3/c12-11(9-4-2-1-3-5-9)8-15-7-10(13)6-14-15/h1-7,11H,8,13H2
InChIKeyDRVWKKIBYXLXJH-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.45
Rot. Bonds3

About 1-(2-chloro-2-phenylethyl)pyrazol-4-amine

1-(2-chloro-2-phenylethyl)pyrazol-4-amine (PubChem CID 142785570) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 1-(2-chloro-2-phenylethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-chloro-2-phenylethyl)pyrazol-4-amine
PubChem CID142785570
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name1-(2-chloro-2-phenylethyl)pyrazol-4-amine
SMILESNc1cnn(CC(Cl)c2ccccc2)c1
InChIInChI=1S/C11H12ClN3/c12-11(9-4-2-1-3-5-9)8-15-7-10(13)6-14-15/h1-7,11H,8,13H2
InChIKeyDRVWKKIBYXLXJH-UHFFFAOYSA-N
XLogP2.45
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(2-phenylpropyl)pyrazol-4-amine
CID 50999732
3-[2-(4-aminopyrazol-1-yl)-1-hydroxyethyl]phenol
CID 115031261
1-(2-ethylbutyl)pyrazol-4-amine
CID 56604384
1-phenylethyl 2-(4-aminopyrazol-1-yl)acetate
CID 61285964
1-(4-aminopyrazol-1-yl)-3-methylbutan-2-ol
CID 83529434
2-(4-aminopyrazol-1-yl)-1-(furan-2-yl)ethanol
CID 55269055
2-[2-[[2-(4-aminopyrazol-1-yl)acetyl]oxymethyl]phenyl]acetic acid
CID 115463289
1-[2-(2-iodophenoxy)ethyl]pyrazol-4-amine
CID 62139197
1-(4-aminopyrazol-1-yl)-3-[methyl(2-phenylethyl)amino]propan-2-ol
CID 65483698
2-phenylsulfanylethyl 2-(4-aminopyrazol-1-yl)acetate
CID 79228564
1-[2-(3-phenylpropoxy)ethyl]pyrazol-4-amine
CID 62137722
3-(4-chloropyrazol-1-yl)-2-phenylpropanethioamide
CID 64537747

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-2-phenylethyl)pyrazol-4-amine?
The IUPAC name of 1-(2-chloro-2-phenylethyl)pyrazol-4-amine (CID 142785570) is 1-(2-chloro-2-phenylethyl)pyrazol-4-amine.
What is the SMILES notation for 1-(2-chloro-2-phenylethyl)pyrazol-4-amine?
The canonical SMILES for 1-(2-chloro-2-phenylethyl)pyrazol-4-amine is Nc1cnn(CC(Cl)c2ccccc2)c1.
What is the InChIKey of 1-(2-chloro-2-phenylethyl)pyrazol-4-amine?
The InChIKey is DRVWKKIBYXLXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c12-11(9-4-2-1-3-5-9)8-15-7-10(13)6-14-15/h1-7,11H,8,13H2.
What are the key properties of 1-(2-chloro-2-phenylethyl)pyrazol-4-amine?
1-(2-chloro-2-phenylethyl)pyrazol-4-amine has a molecular weight of 221.69 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-2-phenylethyl)pyrazol-4-amine is sourced from PubChem (CID 142785570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).