4-[5-(difluoromethyl)-2-methylphenyl]-1H-pyrazol-5-amine

C11H11F2N3 — CID 117319233

IUPAC4-[5-(difluoromethyl)-2-methylphenyl]-1H-pyrazol-5-amine
SMILESCc1ccc(C(F)F)cc1-c1cn[nH]c1N
InChIInChI=1S/C11H11F2N3/c1-6-2-3-7(10(12)13)4-8(6)9-5-15-16-11(9)14/h2-5,10H,1H3,(H3,14,15,16)
InChIKeyLUXRMCLXTMNYPX-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.90
Rot. Bonds2

About 4-[5-(difluoromethyl)-2-methylphenyl]-1H-pyrazol-5-amine

4-[5-(difluoromethyl)-2-methylphenyl]-1H-pyrazol-5-amine (PubChem CID 117319233) has the molecular formula C11H11F2N3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-[5-(difluoromethyl)-2-methylphenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[5-(difluoromethyl)-2-methylphenyl]-1H-pyrazol-5-amine
PubChem CID117319233
Molecular FormulaC11H11F2N3
Molecular Weight223.23 g/mol
Exact Mass223.09
IUPAC Name4-[5-(difluoromethyl)-2-methylphenyl]-1H-pyrazol-5-amine
SMILESCc1ccc(C(F)F)cc1-c1cn[nH]c1N
InChIInChI=1S/C11H11F2N3/c1-6-2-3-7(10(12)13)4-8(6)9-5-15-16-11(9)14/h2-5,10H,1H3,(H3,14,15,16)
InChIKeyLUXRMCLXTMNYPX-UHFFFAOYSA-N
XLogP2.90
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-chloro-4-(difluoromethyl)phenyl]-1H-pyrazol-5-amine
CID 117360992
4-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]-1H-pyrazol-5-amine
CID 117395723
2-(5-amino-1H-pyrazol-4-yl)-4,5-dimethylphenol
CID 117291747
4-(5-bromo-4-fluoro-2-methylphenyl)-1H-pyrazol-5-amine
CID 117428214
4-[3-(1-fluoroethyl)phenyl]-1H-pyrazol-5-amine
CID 117293410
4-(2,6-difluoro-3-methylphenyl)-1H-pyrazol-5-amine
CID 117298239
4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]-1H-pyrazol-5-amine
CID 117426003
4-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-1H-pyrazol-5-amine
CID 117426004
2-(5-amino-1H-pyrazol-4-yl)-3-fluoro-6-methylphenol
CID 117295542
4-(2-bromo-3-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine
CID 117494945
4-(2,3-dimethoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine
CID 117407752
4-(4-bromo-3-methylphenyl)-1H-pyrazol-5-amine
CID 117383094

Frequently Asked Questions

What is the IUPAC name of 4-[5-(difluoromethyl)-2-methylphenyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[5-(difluoromethyl)-2-methylphenyl]-1H-pyrazol-5-amine (CID 117319233) is 4-[5-(difluoromethyl)-2-methylphenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[5-(difluoromethyl)-2-methylphenyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[5-(difluoromethyl)-2-methylphenyl]-1H-pyrazol-5-amine is Cc1ccc(C(F)F)cc1-c1cn[nH]c1N.
What is the InChIKey of 4-[5-(difluoromethyl)-2-methylphenyl]-1H-pyrazol-5-amine?
The InChIKey is LUXRMCLXTMNYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3/c1-6-2-3-7(10(12)13)4-8(6)9-5-15-16-11(9)14/h2-5,10H,1H3,(H3,14,15,16).
What are the key properties of 4-[5-(difluoromethyl)-2-methylphenyl]-1H-pyrazol-5-amine?
4-[5-(difluoromethyl)-2-methylphenyl]-1H-pyrazol-5-amine has a molecular weight of 223.23 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(difluoromethyl)-2-methylphenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 117319233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).