3-[4-(2-chloro-6-fluorophenyl)pyrazol-1-yl]propan-1-amine

C12H13ClFN3 — CID 82119975

IUPAC3-[4-(2-chloro-6-fluorophenyl)pyrazol-1-yl]propan-1-amine
SMILESNCCCn1cc(-c2c(F)cccc2Cl)cn1
InChIInChI=1S/C12H13ClFN3/c13-10-3-1-4-11(14)12(10)9-7-16-17(8-9)6-2-5-15/h1,3-4,7-8H,2,5-6,15H2
InChIKeyCEEOOSOGPRVSJN-UHFFFAOYSA-N
MW253.71 g/mol
LogP2.69
Rot. Bonds4

About 3-[4-(2-chloro-6-fluorophenyl)pyrazol-1-yl]propan-1-amine

3-[4-(2-chloro-6-fluorophenyl)pyrazol-1-yl]propan-1-amine (PubChem CID 82119975) has the molecular formula C12H13ClFN3 and a molecular weight of 253.71 g/mol. Its IUPAC name is 3-[4-(2-chloro-6-fluorophenyl)pyrazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(2-chloro-6-fluorophenyl)pyrazol-1-yl]propan-1-amine
PubChem CID82119975
Molecular FormulaC12H13ClFN3
Molecular Weight253.71 g/mol
Exact Mass253.08
IUPAC Name3-[4-(2-chloro-6-fluorophenyl)pyrazol-1-yl]propan-1-amine
SMILESNCCCn1cc(-c2c(F)cccc2Cl)cn1
InChIInChI=1S/C12H13ClFN3/c13-10-3-1-4-11(14)12(10)9-7-16-17(8-9)6-2-5-15/h1,3-4,7-8H,2,5-6,15H2
InChIKeyCEEOOSOGPRVSJN-UHFFFAOYSA-N
XLogP2.69
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-chloro-6-fluorophenyl)pyrazol-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(2-chloro-6-fluorophenyl)pyrazol-1-yl]propan-1-amine (CID 82119975) is 3-[4-(2-chloro-6-fluorophenyl)pyrazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(2-chloro-6-fluorophenyl)pyrazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(2-chloro-6-fluorophenyl)pyrazol-1-yl]propan-1-amine is NCCCn1cc(-c2c(F)cccc2Cl)cn1.
What is the InChIKey of 3-[4-(2-chloro-6-fluorophenyl)pyrazol-1-yl]propan-1-amine?
The InChIKey is CEEOOSOGPRVSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3/c13-10-3-1-4-11(14)12(10)9-7-16-17(8-9)6-2-5-15/h1,3-4,7-8H,2,5-6,15H2.
What are the key properties of 3-[4-(2-chloro-6-fluorophenyl)pyrazol-1-yl]propan-1-amine?
3-[4-(2-chloro-6-fluorophenyl)pyrazol-1-yl]propan-1-amine has a molecular weight of 253.71 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-chloro-6-fluorophenyl)pyrazol-1-yl]propan-1-amine is sourced from PubChem (CID 82119975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).