3-amino-5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazole-4-carbonitrile

C9H8F2N6O — CID 67795494

IUPAC3-amino-5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazole-4-carbonitrile
SMILESCn1nc(-c2[nH]nc(N)c2C#N)cc1OC(F)F
InChIInChI=1S/C9H8F2N6O/c1-17-6(18-9(10)11)2-5(16-17)7-4(3-12)8(13)15-14-7/h2,9H,1H3,(H3,13,14,15)
InChIKeyHZGDVFFAKQUNDR-UHFFFAOYSA-N
MW254.20 g/mol
LogP0.87
Rot. Bonds3

About 3-amino-5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazole-4-carbonitrile

3-amino-5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazole-4-carbonitrile (PubChem CID 67795494) has the molecular formula C9H8F2N6O and a molecular weight of 254.20 g/mol. Its IUPAC name is 3-amino-5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazole-4-carbonitrile
PubChem CID67795494
Molecular FormulaC9H8F2N6O
Molecular Weight254.20 g/mol
Exact Mass254.07
IUPAC Name3-amino-5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazole-4-carbonitrile
SMILESCn1nc(-c2[nH]nc(N)c2C#N)cc1OC(F)F
InChIInChI=1S/C9H8F2N6O/c1-17-6(18-9(10)11)2-5(16-17)7-4(3-12)8(13)15-14-7/h2,9H,1H3,(H3,13,14,15)
InChIKeyHZGDVFFAKQUNDR-UHFFFAOYSA-N
XLogP0.87
TPSA105.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazole-4-carbonitrile?
The IUPAC name of 3-amino-5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazole-4-carbonitrile (CID 67795494) is 3-amino-5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazole-4-carbonitrile is Cn1nc(-c2[nH]nc(N)c2C#N)cc1OC(F)F.
What is the InChIKey of 3-amino-5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazole-4-carbonitrile?
The InChIKey is HZGDVFFAKQUNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N6O/c1-17-6(18-9(10)11)2-5(16-17)7-4(3-12)8(13)15-14-7/h2,9H,1H3,(H3,13,14,15).
What are the key properties of 3-amino-5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazole-4-carbonitrile?
3-amino-5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazole-4-carbonitrile has a molecular weight of 254.20 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 67795494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).