4-(2-chloro-4-fluorophenyl)-5-cycloheptyl-1H-pyrazol-3-amine

C16H19ClFN3 — CID 63525734

IUPAC4-(2-chloro-4-fluorophenyl)-5-cycloheptyl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C2CCCCCC2)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C16H19ClFN3/c17-13-9-11(18)7-8-12(13)14-15(20-21-16(14)19)10-5-3-1-2-4-6-10/h7-10H,1-6H2,(H3,19,20,21)
InChIKeyLTIRTJSFOYLIQH-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.89
Rot. Bonds2

About 4-(2-chloro-4-fluorophenyl)-5-cycloheptyl-1H-pyrazol-3-amine

4-(2-chloro-4-fluorophenyl)-5-cycloheptyl-1H-pyrazol-3-amine (PubChem CID 63525734) has the molecular formula C16H19ClFN3 and a molecular weight of 307.80 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-5-cycloheptyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-5-cycloheptyl-1H-pyrazol-3-amine
PubChem CID63525734
Molecular FormulaC16H19ClFN3
Molecular Weight307.80 g/mol
Exact Mass307.13
IUPAC Name4-(2-chloro-4-fluorophenyl)-5-cycloheptyl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C2CCCCCC2)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C16H19ClFN3/c17-13-9-11(18)7-8-12(13)14-15(20-21-16(14)19)10-5-3-1-2-4-6-10/h7-10H,1-6H2,(H3,19,20,21)
InChIKeyLTIRTJSFOYLIQH-UHFFFAOYSA-N
XLogP4.89
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)-5-cycloheptyl-1H-pyrazol-3-amine?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-5-cycloheptyl-1H-pyrazol-3-amine (CID 63525734) is 4-(2-chloro-4-fluorophenyl)-5-cycloheptyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-5-cycloheptyl-1H-pyrazol-3-amine?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-5-cycloheptyl-1H-pyrazol-3-amine is Nc1n[nH]c(C2CCCCCC2)c1-c1ccc(F)cc1Cl.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-5-cycloheptyl-1H-pyrazol-3-amine?
The InChIKey is LTIRTJSFOYLIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3/c17-13-9-11(18)7-8-12(13)14-15(20-21-16(14)19)10-5-3-1-2-4-6-10/h7-10H,1-6H2,(H3,19,20,21).
What are the key properties of 4-(2-chloro-4-fluorophenyl)-5-cycloheptyl-1H-pyrazol-3-amine?
4-(2-chloro-4-fluorophenyl)-5-cycloheptyl-1H-pyrazol-3-amine has a molecular weight of 307.80 g/mol, XLogP of 4.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)-5-cycloheptyl-1H-pyrazol-3-amine is sourced from PubChem (CID 63525734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).