5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazol-3-amine

C8H8ClF2N5O — CID 67793970

IUPAC5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazol-3-amine
SMILESCn1nc(-c2cc(N)n[nH]2)c(Cl)c1OC(F)F
InChIInChI=1S/C8H8ClF2N5O/c1-16-7(17-8(10)11)5(9)6(15-16)3-2-4(12)14-13-3/h2,8H,1H3,(H3,12,13,14)
InChIKeyZBBMCQPVTORCGK-UHFFFAOYSA-N
MW263.63 g/mol
LogP1.65
Rot. Bonds3

About 5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazol-3-amine

5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazol-3-amine (PubChem CID 67793970) has the molecular formula C8H8ClF2N5O and a molecular weight of 263.63 g/mol. Its IUPAC name is 5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazol-3-amine
PubChem CID67793970
Molecular FormulaC8H8ClF2N5O
Molecular Weight263.63 g/mol
Exact Mass263.04
IUPAC Name5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazol-3-amine
SMILESCn1nc(-c2cc(N)n[nH]2)c(Cl)c1OC(F)F
InChIInChI=1S/C8H8ClF2N5O/c1-16-7(17-8(10)11)5(9)6(15-16)3-2-4(12)14-13-3/h2,8H,1H3,(H3,12,13,14)
InChIKeyZBBMCQPVTORCGK-UHFFFAOYSA-N
XLogP1.65
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.63
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazol-3-amine (CID 67793970) is 5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazol-3-amine is Cn1nc(-c2cc(N)n[nH]2)c(Cl)c1OC(F)F.
What is the InChIKey of 5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazol-3-amine?
The InChIKey is ZBBMCQPVTORCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2N5O/c1-16-7(17-8(10)11)5(9)6(15-16)3-2-4(12)14-13-3/h2,8H,1H3,(H3,12,13,14).
What are the key properties of 5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazol-3-amine?
5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazol-3-amine has a molecular weight of 263.63 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazol-3-amine is sourced from PubChem (CID 67793970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).