1-(difluoromethyl)-N-propan-2-ylpyrazole-4-carboxamide

C8H11F2N3O — CID 164554366

IUPAC1-(difluoromethyl)-N-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)NC(=O)c1cnn(C(F)F)c1
InChIInChI=1S/C8H11F2N3O/c1-5(2)12-7(14)6-3-11-13(4-6)8(9)10/h3-5,8H,1-2H3,(H,12,14)
InChIKeyQMUWGRYNWPAFSW-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.42
Rot. Bonds3

About 1-(difluoromethyl)-N-propan-2-ylpyrazole-4-carboxamide

1-(difluoromethyl)-N-propan-2-ylpyrazole-4-carboxamide (PubChem CID 164554366) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-propan-2-ylpyrazole-4-carboxamide
PubChem CID164554366
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC Name1-(difluoromethyl)-N-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)NC(=O)c1cnn(C(F)F)c1
InChIInChI=1S/C8H11F2N3O/c1-5(2)12-7(14)6-3-11-13(4-6)8(9)10/h3-5,8H,1-2H3,(H,12,14)
InChIKeyQMUWGRYNWPAFSW-UHFFFAOYSA-N
XLogP1.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-propan-2-ylpyrazole-4-carboxamide (CID 164554366) is 1-(difluoromethyl)-N-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-propan-2-ylpyrazole-4-carboxamide is CC(C)NC(=O)c1cnn(C(F)F)c1.
What is the InChIKey of 1-(difluoromethyl)-N-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is QMUWGRYNWPAFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c1-5(2)12-7(14)6-3-11-13(4-6)8(9)10/h3-5,8H,1-2H3,(H,12,14).
What are the key properties of 1-(difluoromethyl)-N-propan-2-ylpyrazole-4-carboxamide?
1-(difluoromethyl)-N-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 203.19 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 164554366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).