4-(3,4-dimethylphenyl)-5-(3-fluorophenyl)-1H-pyrazol-3-amine

C17H16FN3 — CID 62901471

IUPAC4-(3,4-dimethylphenyl)-5-(3-fluorophenyl)-1H-pyrazol-3-amine
SMILESCc1ccc(-c2c(N)n[nH]c2-c2cccc(F)c2)cc1C
InChIInChI=1S/C17H16FN3/c1-10-6-7-12(8-11(10)2)15-16(20-21-17(15)19)13-4-3-5-14(18)9-13/h3-9H,1-2H3,(H3,19,20,21)
InChIKeyCVPKQJSHTYZPAM-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.08
Rot. Bonds2

About 4-(3,4-dimethylphenyl)-5-(3-fluorophenyl)-1H-pyrazol-3-amine

4-(3,4-dimethylphenyl)-5-(3-fluorophenyl)-1H-pyrazol-3-amine (PubChem CID 62901471) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-5-(3-fluorophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-5-(3-fluorophenyl)-1H-pyrazol-3-amine
PubChem CID62901471
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name4-(3,4-dimethylphenyl)-5-(3-fluorophenyl)-1H-pyrazol-3-amine
SMILESCc1ccc(-c2c(N)n[nH]c2-c2cccc(F)c2)cc1C
InChIInChI=1S/C17H16FN3/c1-10-6-7-12(8-11(10)2)15-16(20-21-17(15)19)13-4-3-5-14(18)9-13/h3-9H,1-2H3,(H3,19,20,21)
InChIKeyCVPKQJSHTYZPAM-UHFFFAOYSA-N
XLogP4.08
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-5-(3-fluorophenyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(3,4-dimethylphenyl)-5-(3-fluorophenyl)-1H-pyrazol-3-amine (CID 62901471) is 4-(3,4-dimethylphenyl)-5-(3-fluorophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-5-(3-fluorophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3,4-dimethylphenyl)-5-(3-fluorophenyl)-1H-pyrazol-3-amine is Cc1ccc(-c2c(N)n[nH]c2-c2cccc(F)c2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-5-(3-fluorophenyl)-1H-pyrazol-3-amine?
The InChIKey is CVPKQJSHTYZPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-10-6-7-12(8-11(10)2)15-16(20-21-17(15)19)13-4-3-5-14(18)9-13/h3-9H,1-2H3,(H3,19,20,21).
What are the key properties of 4-(3,4-dimethylphenyl)-5-(3-fluorophenyl)-1H-pyrazol-3-amine?
4-(3,4-dimethylphenyl)-5-(3-fluorophenyl)-1H-pyrazol-3-amine has a molecular weight of 281.33 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-5-(3-fluorophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 62901471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).