1-(difluoromethyl)-N-[(2R)-3-methylbutan-2-yl]pyrazole-4-carboxamide

C10H15F2N3O — CID 164556145

IUPAC1-(difluoromethyl)-N-[(2R)-3-methylbutan-2-yl]pyrazole-4-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)c1cnn(C(F)F)c1
InChIInChI=1S/C10H15F2N3O/c1-6(2)7(3)14-9(16)8-4-13-15(5-8)10(11)12/h4-7,10H,1-3H3,(H,14,16)/t7-/m1/s1
InChIKeyIZMRIDBUIBVLBE-SSDOTTSWSA-N
MW231.25 g/mol
LogP2.05
Rot. Bonds4

About 1-(difluoromethyl)-N-[(2R)-3-methylbutan-2-yl]pyrazole-4-carboxamide

1-(difluoromethyl)-N-[(2R)-3-methylbutan-2-yl]pyrazole-4-carboxamide (PubChem CID 164556145) has the molecular formula C10H15F2N3O and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[(2R)-3-methylbutan-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[(2R)-3-methylbutan-2-yl]pyrazole-4-carboxamide
PubChem CID164556145
Molecular FormulaC10H15F2N3O
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name1-(difluoromethyl)-N-[(2R)-3-methylbutan-2-yl]pyrazole-4-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)c1cnn(C(F)F)c1
InChIInChI=1S/C10H15F2N3O/c1-6(2)7(3)14-9(16)8-4-13-15(5-8)10(11)12/h4-7,10H,1-3H3,(H,14,16)/t7-/m1/s1
InChIKeyIZMRIDBUIBVLBE-SSDOTTSWSA-N
XLogP2.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[(2R)-3-methylbutan-2-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-[(2R)-3-methylbutan-2-yl]pyrazole-4-carboxamide (CID 164556145) is 1-(difluoromethyl)-N-[(2R)-3-methylbutan-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[(2R)-3-methylbutan-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-[(2R)-3-methylbutan-2-yl]pyrazole-4-carboxamide is CC(C)[C@@H](C)NC(=O)c1cnn(C(F)F)c1.
What is the InChIKey of 1-(difluoromethyl)-N-[(2R)-3-methylbutan-2-yl]pyrazole-4-carboxamide?
The InChIKey is IZMRIDBUIBVLBE-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15F2N3O/c1-6(2)7(3)14-9(16)8-4-13-15(5-8)10(11)12/h4-7,10H,1-3H3,(H,14,16)/t7-/m1/s1.
What are the key properties of 1-(difluoromethyl)-N-[(2R)-3-methylbutan-2-yl]pyrazole-4-carboxamide?
1-(difluoromethyl)-N-[(2R)-3-methylbutan-2-yl]pyrazole-4-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[(2R)-3-methylbutan-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 164556145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).