4-(3-chlorophenyl)-5-cycloheptyl-1H-pyrazol-3-amine

C16H20ClN3 — CID 63525557

IUPAC4-(3-chlorophenyl)-5-cycloheptyl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C2CCCCCC2)c1-c1cccc(Cl)c1
InChIInChI=1S/C16H20ClN3/c17-13-9-5-8-12(10-13)14-15(19-20-16(14)18)11-6-3-1-2-4-7-11/h5,8-11H,1-4,6-7H2,(H3,18,19,20)
InChIKeyOMESLICRGDCHJX-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.75
Rot. Bonds2

About 4-(3-chlorophenyl)-5-cycloheptyl-1H-pyrazol-3-amine

4-(3-chlorophenyl)-5-cycloheptyl-1H-pyrazol-3-amine (PubChem CID 63525557) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-5-cycloheptyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-5-cycloheptyl-1H-pyrazol-3-amine
PubChem CID63525557
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name4-(3-chlorophenyl)-5-cycloheptyl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C2CCCCCC2)c1-c1cccc(Cl)c1
InChIInChI=1S/C16H20ClN3/c17-13-9-5-8-12(10-13)14-15(19-20-16(14)18)11-6-3-1-2-4-7-11/h5,8-11H,1-4,6-7H2,(H3,18,19,20)
InChIKeyOMESLICRGDCHJX-UHFFFAOYSA-N
XLogP4.75
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-5-cycloheptyl-1H-pyrazol-3-amine?
The IUPAC name of 4-(3-chlorophenyl)-5-cycloheptyl-1H-pyrazol-3-amine (CID 63525557) is 4-(3-chlorophenyl)-5-cycloheptyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-5-cycloheptyl-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3-chlorophenyl)-5-cycloheptyl-1H-pyrazol-3-amine is Nc1n[nH]c(C2CCCCCC2)c1-c1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)-5-cycloheptyl-1H-pyrazol-3-amine?
The InChIKey is OMESLICRGDCHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c17-13-9-5-8-12(10-13)14-15(19-20-16(14)18)11-6-3-1-2-4-7-11/h5,8-11H,1-4,6-7H2,(H3,18,19,20).
What are the key properties of 4-(3-chlorophenyl)-5-cycloheptyl-1H-pyrazol-3-amine?
4-(3-chlorophenyl)-5-cycloheptyl-1H-pyrazol-3-amine has a molecular weight of 289.81 g/mol, XLogP of 4.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-5-cycloheptyl-1H-pyrazol-3-amine is sourced from PubChem (CID 63525557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).