3-(2-chlorophenyl)-1-(1-cyclopropylethyl)pyrazol-4-amine

C14H16ClN3 — CID 83217910

IUPAC3-(2-chlorophenyl)-1-(1-cyclopropylethyl)pyrazol-4-amine
SMILESCC(C1CC1)n1cc(N)c(-c2ccccc2Cl)n1
InChIInChI=1S/C14H16ClN3/c1-9(10-6-7-10)18-8-13(16)14(17-18)11-4-2-3-5-12(11)15/h2-5,8-10H,6-7,16H2,1H3
InChIKeyNCKFJMVFHWUNNQ-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.76
Rot. Bonds3

About 3-(2-chlorophenyl)-1-(1-cyclopropylethyl)pyrazol-4-amine

3-(2-chlorophenyl)-1-(1-cyclopropylethyl)pyrazol-4-amine (PubChem CID 83217910) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(1-cyclopropylethyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(1-cyclopropylethyl)pyrazol-4-amine
PubChem CID83217910
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name3-(2-chlorophenyl)-1-(1-cyclopropylethyl)pyrazol-4-amine
SMILESCC(C1CC1)n1cc(N)c(-c2ccccc2Cl)n1
InChIInChI=1S/C14H16ClN3/c1-9(10-6-7-10)18-8-13(16)14(17-18)11-4-2-3-5-12(11)15/h2-5,8-10H,6-7,16H2,1H3
InChIKeyNCKFJMVFHWUNNQ-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-(2-chlorophenyl)-1-(1-cyclopropylethyl)pyrazol-4-amine?
The IUPAC name of 3-(2-chlorophenyl)-1-(1-cyclopropylethyl)pyrazol-4-amine (CID 83217910) is 3-(2-chlorophenyl)-1-(1-cyclopropylethyl)pyrazol-4-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(1-cyclopropylethyl)pyrazol-4-amine?
The canonical SMILES for 3-(2-chlorophenyl)-1-(1-cyclopropylethyl)pyrazol-4-amine is CC(C1CC1)n1cc(N)c(-c2ccccc2Cl)n1.
What is the InChIKey of 3-(2-chlorophenyl)-1-(1-cyclopropylethyl)pyrazol-4-amine?
The InChIKey is NCKFJMVFHWUNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-9(10-6-7-10)18-8-13(16)14(17-18)11-4-2-3-5-12(11)15/h2-5,8-10H,6-7,16H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-1-(1-cyclopropylethyl)pyrazol-4-amine?
3-(2-chlorophenyl)-1-(1-cyclopropylethyl)pyrazol-4-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-(2-chlorophenyl)-1-(1-cyclopropylethyl)pyrazol-4-amine is sourced from PubChem (CID 83217910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).