3-[chloro(difluoro)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide

C9H8ClF2N5O2 — CID 164879721

IUPAC3-[chloro(difluoro)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide
SMILESCn1nc(OC(F)(F)Cl)cc1C(=O)Nc1ccn[nH]1
InChIInChI=1S/C9H8ClF2N5O2/c1-17-5(4-7(16-17)19-9(10,11)12)8(18)14-6-2-3-13-15-6/h2-4H,1H3,(H2,13,14,15,18)
InChIKeyGFGLCJOYHYSJLT-UHFFFAOYSA-N
MW291.65 g/mol
LogP1.56
Rot. Bonds4

About 3-[chloro(difluoro)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide

3-[chloro(difluoro)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide (PubChem CID 164879721) has the molecular formula C9H8ClF2N5O2 and a molecular weight of 291.65 g/mol. Its IUPAC name is 3-[chloro(difluoro)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[chloro(difluoro)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide
PubChem CID164879721
Molecular FormulaC9H8ClF2N5O2
Molecular Weight291.65 g/mol
Exact Mass291.03
IUPAC Name3-[chloro(difluoro)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide
SMILESCn1nc(OC(F)(F)Cl)cc1C(=O)Nc1ccn[nH]1
InChIInChI=1S/C9H8ClF2N5O2/c1-17-5(4-7(16-17)19-9(10,11)12)8(18)14-6-2-3-13-15-6/h2-4H,1H3,(H2,13,14,15,18)
InChIKeyGFGLCJOYHYSJLT-UHFFFAOYSA-N
XLogP1.56
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.65
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[chloro(difluoro)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide?
The IUPAC name of 3-[chloro(difluoro)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide (CID 164879721) is 3-[chloro(difluoro)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-[chloro(difluoro)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide?
The canonical SMILES for 3-[chloro(difluoro)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide is Cn1nc(OC(F)(F)Cl)cc1C(=O)Nc1ccn[nH]1.
What is the InChIKey of 3-[chloro(difluoro)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide?
The InChIKey is GFGLCJOYHYSJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2N5O2/c1-17-5(4-7(16-17)19-9(10,11)12)8(18)14-6-2-3-13-15-6/h2-4H,1H3,(H2,13,14,15,18).
What are the key properties of 3-[chloro(difluoro)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide?
3-[chloro(difluoro)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide has a molecular weight of 291.65 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro(difluoro)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 164879721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).