5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine

C16H13F2N3 — CID 62648782

IUPAC5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1ccccc1-c1c(N)n[nH]c1-c1cccc(F)c1F
InChIInChI=1S/C16H13F2N3/c1-9-5-2-3-6-10(9)13-15(20-21-16(13)19)11-7-4-8-12(17)14(11)18/h2-8H,1H3,(H3,19,20,21)
InChIKeyVHHMFFRTMFAIFV-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.91
Rot. Bonds2

About 5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine

5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine (PubChem CID 62648782) has the molecular formula C16H13F2N3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
PubChem CID62648782
Molecular FormulaC16H13F2N3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1ccccc1-c1c(N)n[nH]c1-c1cccc(F)c1F
InChIInChI=1S/C16H13F2N3/c1-9-5-2-3-6-10(9)13-15(20-21-16(13)19)11-7-4-8-12(17)14(11)18/h2-8H,1H3,(H3,19,20,21)
InChIKeyVHHMFFRTMFAIFV-UHFFFAOYSA-N
XLogP3.91
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine (CID 62648782) is 5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine is Cc1ccccc1-c1c(N)n[nH]c1-c1cccc(F)c1F.
What is the InChIKey of 5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine?
The InChIKey is VHHMFFRTMFAIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3/c1-9-5-2-3-6-10(9)13-15(20-21-16(13)19)11-7-4-8-12(17)14(11)18/h2-8H,1H3,(H3,19,20,21).
What are the key properties of 5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine?
5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine has a molecular weight of 285.30 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 62648782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).