3-(3-chlorophenyl)-1-(1-cyclopropylethyl)pyrazol-5-amine

C14H16ClN3 — CID 61271897

IUPAC3-(3-chlorophenyl)-1-(1-cyclopropylethyl)pyrazol-5-amine
SMILESCC(C1CC1)n1nc(-c2cccc(Cl)c2)cc1N
InChIInChI=1S/C14H16ClN3/c1-9(10-5-6-10)18-14(16)8-13(17-18)11-3-2-4-12(15)7-11/h2-4,7-10H,5-6,16H2,1H3
InChIKeyXRZCAZKJKPMMPA-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.76
Rot. Bonds3

About 3-(3-chlorophenyl)-1-(1-cyclopropylethyl)pyrazol-5-amine

3-(3-chlorophenyl)-1-(1-cyclopropylethyl)pyrazol-5-amine (PubChem CID 61271897) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-(1-cyclopropylethyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-(1-cyclopropylethyl)pyrazol-5-amine
PubChem CID61271897
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name3-(3-chlorophenyl)-1-(1-cyclopropylethyl)pyrazol-5-amine
SMILESCC(C1CC1)n1nc(-c2cccc(Cl)c2)cc1N
InChIInChI=1S/C14H16ClN3/c1-9(10-5-6-10)18-14(16)8-13(17-18)11-3-2-4-12(15)7-11/h2-4,7-10H,5-6,16H2,1H3
InChIKeyXRZCAZKJKPMMPA-UHFFFAOYSA-N
XLogP3.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-(1-cyclopropylethyl)pyrazol-5-amine?
The IUPAC name of 3-(3-chlorophenyl)-1-(1-cyclopropylethyl)pyrazol-5-amine (CID 61271897) is 3-(3-chlorophenyl)-1-(1-cyclopropylethyl)pyrazol-5-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-1-(1-cyclopropylethyl)pyrazol-5-amine?
The canonical SMILES for 3-(3-chlorophenyl)-1-(1-cyclopropylethyl)pyrazol-5-amine is CC(C1CC1)n1nc(-c2cccc(Cl)c2)cc1N.
What is the InChIKey of 3-(3-chlorophenyl)-1-(1-cyclopropylethyl)pyrazol-5-amine?
The InChIKey is XRZCAZKJKPMMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-9(10-5-6-10)18-14(16)8-13(17-18)11-3-2-4-12(15)7-11/h2-4,7-10H,5-6,16H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-1-(1-cyclopropylethyl)pyrazol-5-amine?
3-(3-chlorophenyl)-1-(1-cyclopropylethyl)pyrazol-5-amine has a molecular weight of 261.76 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-(1-cyclopropylethyl)pyrazol-5-amine is sourced from PubChem (CID 61271897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).