2-[5-amino-3-(2,4-dichlorophenyl)pyrazol-1-yl]cyclopentan-1-ol

C14H15Cl2N3O — CID 62714088

IUPAC2-[5-amino-3-(2,4-dichlorophenyl)pyrazol-1-yl]cyclopentan-1-ol
SMILESNc1cc(-c2ccc(Cl)cc2Cl)nn1C1CCCC1O
InChIInChI=1S/C14H15Cl2N3O/c15-8-4-5-9(10(16)6-8)11-7-14(17)19(18-11)12-2-1-3-13(12)20/h4-7,12-13,20H,1-3,17H2
InChIKeyLHSWIKLBAGUPEP-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.53
Rot. Bonds2

About 2-[5-amino-3-(2,4-dichlorophenyl)pyrazol-1-yl]cyclopentan-1-ol

2-[5-amino-3-(2,4-dichlorophenyl)pyrazol-1-yl]cyclopentan-1-ol (PubChem CID 62714088) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is 2-[5-amino-3-(2,4-dichlorophenyl)pyrazol-1-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[5-amino-3-(2,4-dichlorophenyl)pyrazol-1-yl]cyclopentan-1-ol
PubChem CID62714088
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name2-[5-amino-3-(2,4-dichlorophenyl)pyrazol-1-yl]cyclopentan-1-ol
SMILESNc1cc(-c2ccc(Cl)cc2Cl)nn1C1CCCC1O
InChIInChI=1S/C14H15Cl2N3O/c15-8-4-5-9(10(16)6-8)11-7-14(17)19(18-11)12-2-1-3-13(12)20/h4-7,12-13,20H,1-3,17H2
InChIKeyLHSWIKLBAGUPEP-UHFFFAOYSA-N
XLogP3.53
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(2,4-dichlorophenyl)pyrazol-1-yl]cyclopentan-1-ol?
The IUPAC name of 2-[5-amino-3-(2,4-dichlorophenyl)pyrazol-1-yl]cyclopentan-1-ol (CID 62714088) is 2-[5-amino-3-(2,4-dichlorophenyl)pyrazol-1-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[5-amino-3-(2,4-dichlorophenyl)pyrazol-1-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[5-amino-3-(2,4-dichlorophenyl)pyrazol-1-yl]cyclopentan-1-ol is Nc1cc(-c2ccc(Cl)cc2Cl)nn1C1CCCC1O.
What is the InChIKey of 2-[5-amino-3-(2,4-dichlorophenyl)pyrazol-1-yl]cyclopentan-1-ol?
The InChIKey is LHSWIKLBAGUPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c15-8-4-5-9(10(16)6-8)11-7-14(17)19(18-11)12-2-1-3-13(12)20/h4-7,12-13,20H,1-3,17H2.
What are the key properties of 2-[5-amino-3-(2,4-dichlorophenyl)pyrazol-1-yl]cyclopentan-1-ol?
2-[5-amino-3-(2,4-dichlorophenyl)pyrazol-1-yl]cyclopentan-1-ol has a molecular weight of 312.20 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(2,4-dichlorophenyl)pyrazol-1-yl]cyclopentan-1-ol is sourced from PubChem (CID 62714088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).