4-(3-chloro-2-fluorophenyl)-1-methyl-3-phenylpyrazol-5-amine

C16H13ClFN3 — CID 82789468

IUPAC4-(3-chloro-2-fluorophenyl)-1-methyl-3-phenylpyrazol-5-amine
SMILESCn1nc(-c2ccccc2)c(-c2cccc(Cl)c2F)c1N
InChIInChI=1S/C16H13ClFN3/c1-21-16(19)13(11-8-5-9-12(17)14(11)18)15(20-21)10-6-3-2-4-7-10/h2-9H,19H2,1H3
InChIKeyWHZHHLFQQDETGG-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.13
Rot. Bonds2

About 4-(3-chloro-2-fluorophenyl)-1-methyl-3-phenylpyrazol-5-amine

4-(3-chloro-2-fluorophenyl)-1-methyl-3-phenylpyrazol-5-amine (PubChem CID 82789468) has the molecular formula C16H13ClFN3 and a molecular weight of 301.75 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenyl)-1-methyl-3-phenylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenyl)-1-methyl-3-phenylpyrazol-5-amine
PubChem CID82789468
Molecular FormulaC16H13ClFN3
Molecular Weight301.75 g/mol
Exact Mass301.08
IUPAC Name4-(3-chloro-2-fluorophenyl)-1-methyl-3-phenylpyrazol-5-amine
SMILESCn1nc(-c2ccccc2)c(-c2cccc(Cl)c2F)c1N
InChIInChI=1S/C16H13ClFN3/c1-21-16(19)13(11-8-5-9-12(17)14(11)18)15(20-21)10-6-3-2-4-7-10/h2-9H,19H2,1H3
InChIKeyWHZHHLFQQDETGG-UHFFFAOYSA-N
XLogP4.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenyl)-1-methyl-3-phenylpyrazol-5-amine?
The IUPAC name of 4-(3-chloro-2-fluorophenyl)-1-methyl-3-phenylpyrazol-5-amine (CID 82789468) is 4-(3-chloro-2-fluorophenyl)-1-methyl-3-phenylpyrazol-5-amine.
What is the SMILES notation for 4-(3-chloro-2-fluorophenyl)-1-methyl-3-phenylpyrazol-5-amine?
The canonical SMILES for 4-(3-chloro-2-fluorophenyl)-1-methyl-3-phenylpyrazol-5-amine is Cn1nc(-c2ccccc2)c(-c2cccc(Cl)c2F)c1N.
What is the InChIKey of 4-(3-chloro-2-fluorophenyl)-1-methyl-3-phenylpyrazol-5-amine?
The InChIKey is WHZHHLFQQDETGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3/c1-21-16(19)13(11-8-5-9-12(17)14(11)18)15(20-21)10-6-3-2-4-7-10/h2-9H,19H2,1H3.
What are the key properties of 4-(3-chloro-2-fluorophenyl)-1-methyl-3-phenylpyrazol-5-amine?
4-(3-chloro-2-fluorophenyl)-1-methyl-3-phenylpyrazol-5-amine has a molecular weight of 301.75 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluorophenyl)-1-methyl-3-phenylpyrazol-5-amine is sourced from PubChem (CID 82789468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).