5-(2-cyclopentylethyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine

C16H19Cl2N3 — CID 63525732

IUPAC5-(2-cyclopentylethyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(CCC2CCCC2)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H19Cl2N3/c17-12-7-6-11(9-13(12)18)15-14(20-21-16(15)19)8-5-10-3-1-2-4-10/h6-7,9-10H,1-5,8H2,(H3,19,20,21)
InChIKeyOWCHLKBSHFLYFF-UHFFFAOYSA-N
MW324.25 g/mol
LogP5.09
Rot. Bonds4

About 5-(2-cyclopentylethyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine

5-(2-cyclopentylethyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine (PubChem CID 63525732) has the molecular formula C16H19Cl2N3 and a molecular weight of 324.25 g/mol. Its IUPAC name is 5-(2-cyclopentylethyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-cyclopentylethyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine
PubChem CID63525732
Molecular FormulaC16H19Cl2N3
Molecular Weight324.25 g/mol
Exact Mass323.10
IUPAC Name5-(2-cyclopentylethyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(CCC2CCCC2)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H19Cl2N3/c17-12-7-6-11(9-13(12)18)15-14(20-21-16(15)19)8-5-10-3-1-2-4-10/h6-7,9-10H,1-5,8H2,(H3,19,20,21)
InChIKeyOWCHLKBSHFLYFF-UHFFFAOYSA-N
XLogP5.09
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.25
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopentylethyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-cyclopentylethyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine (CID 63525732) is 5-(2-cyclopentylethyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-cyclopentylethyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-cyclopentylethyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine is Nc1n[nH]c(CCC2CCCC2)c1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-(2-cyclopentylethyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine?
The InChIKey is OWCHLKBSHFLYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3/c17-12-7-6-11(9-13(12)18)15-14(20-21-16(15)19)8-5-10-3-1-2-4-10/h6-7,9-10H,1-5,8H2,(H3,19,20,21).
What are the key properties of 5-(2-cyclopentylethyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine?
5-(2-cyclopentylethyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine has a molecular weight of 324.25 g/mol, XLogP of 5.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopentylethyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 63525732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).