5-[4-(difluoromethyl)phenyl]-4-methyl-1H-pyrazol-3-amine

C11H11F2N3 — CID 134440736

IUPAC5-[4-(difluoromethyl)phenyl]-4-methyl-1H-pyrazol-3-amine
SMILESCc1c(N)n[nH]c1-c1ccc(C(F)F)cc1
InChIInChI=1S/C11H11F2N3/c1-6-9(15-16-11(6)14)7-2-4-8(5-3-7)10(12)13/h2-5,10H,1H3,(H3,14,15,16)
InChIKeyJINJYBAXQWYEIL-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.90
Rot. Bonds2

About 5-[4-(difluoromethyl)phenyl]-4-methyl-1H-pyrazol-3-amine

5-[4-(difluoromethyl)phenyl]-4-methyl-1H-pyrazol-3-amine (PubChem CID 134440736) has the molecular formula C11H11F2N3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 5-[4-(difluoromethyl)phenyl]-4-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[4-(difluoromethyl)phenyl]-4-methyl-1H-pyrazol-3-amine
PubChem CID134440736
Molecular FormulaC11H11F2N3
Molecular Weight223.23 g/mol
Exact Mass223.09
IUPAC Name5-[4-(difluoromethyl)phenyl]-4-methyl-1H-pyrazol-3-amine
SMILESCc1c(N)n[nH]c1-c1ccc(C(F)F)cc1
InChIInChI=1S/C11H11F2N3/c1-6-9(15-16-11(6)14)7-2-4-8(5-3-7)10(12)13/h2-5,10H,1H3,(H3,14,15,16)
InChIKeyJINJYBAXQWYEIL-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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Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethyl)phenyl]-4-methyl-1H-pyrazol-3-amine?
The IUPAC name of 5-[4-(difluoromethyl)phenyl]-4-methyl-1H-pyrazol-3-amine (CID 134440736) is 5-[4-(difluoromethyl)phenyl]-4-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[4-(difluoromethyl)phenyl]-4-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-[4-(difluoromethyl)phenyl]-4-methyl-1H-pyrazol-3-amine is Cc1c(N)n[nH]c1-c1ccc(C(F)F)cc1.
What is the InChIKey of 5-[4-(difluoromethyl)phenyl]-4-methyl-1H-pyrazol-3-amine?
The InChIKey is JINJYBAXQWYEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3/c1-6-9(15-16-11(6)14)7-2-4-8(5-3-7)10(12)13/h2-5,10H,1H3,(H3,14,15,16).
What are the key properties of 5-[4-(difluoromethyl)phenyl]-4-methyl-1H-pyrazol-3-amine?
5-[4-(difluoromethyl)phenyl]-4-methyl-1H-pyrazol-3-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 5-[4-(difluoromethyl)phenyl]-4-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 134440736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).