4-(azetidine-1-carbonyl)-N-[1-(difluoromethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide

C13H14F2N6O2 — CID 165415421

IUPAC4-(azetidine-1-carbonyl)-N-[1-(difluoromethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(C(F)F)n1
InChIInChI=1S/C13H14F2N6O2/c1-19-10(8(7-16-19)12(23)20-4-2-5-20)11(22)17-9-3-6-21(18-9)13(14)15/h3,6-7,13H,2,4-5H2,1H3,(H,17,18,22)
InChIKeyQVPGFBWXVSTUKK-UHFFFAOYSA-N
MW324.29 g/mol
LogP1.11
Rot. Bonds4

About 4-(azetidine-1-carbonyl)-N-[1-(difluoromethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-N-[1-(difluoromethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 165415421) has the molecular formula C13H14F2N6O2 and a molecular weight of 324.29 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-[1-(difluoromethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-N-[1-(difluoromethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
PubChem CID165415421
Molecular FormulaC13H14F2N6O2
Molecular Weight324.29 g/mol
Exact Mass324.11
IUPAC Name4-(azetidine-1-carbonyl)-N-[1-(difluoromethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(C(F)F)n1
InChIInChI=1S/C13H14F2N6O2/c1-19-10(8(7-16-19)12(23)20-4-2-5-20)11(22)17-9-3-6-21(18-9)13(14)15/h3,6-7,13H,2,4-5H2,1H3,(H,17,18,22)
InChIKeyQVPGFBWXVSTUKK-UHFFFAOYSA-N
XLogP1.11
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(azetidine-1-carbonyl)-N-[1-(2,2-difluoroethyl)-5-methylpyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415385
4-(azetidine-1-carbonyl)-N-[1-(2-fluoroethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415409
4-(azetidine-1-carbonyl)-N-(3-butyl-1-cyclopentylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide
CID 165415232
4-(azetidine-1-carbonyl)-N-(5-butyl-1-cyclopentylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
CID 165415316
4-(azetidine-1-carbonyl)-1-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]pyrazole-5-carboxamide
CID 165415367
4-(azetidine-1-carbonyl)-N-(1-cyclopentyl-3-propan-2-ylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide
CID 165415379
4-(azetidine-1-carbonyl)-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
CID 165415383
4-(azetidine-1-carbonyl)-1-methyl-N-[1-(2-methylpropyl)pyrazol-3-yl]pyrazole-5-carboxamide
CID 165415389
4-(azetidine-1-carbonyl)-N-(1-cyclopentyl-5-methylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
CID 165415394
4-(azetidine-1-carbonyl)-N-(1-cyclohexylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
CID 165415395
4-(azetidine-1-carbonyl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415397
4-(azetidine-1-carbonyl)-N-[1-(cyclopropylmethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415405

Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-N-[1-(difluoromethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-N-[1-(difluoromethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide (CID 165415421) is 4-(azetidine-1-carbonyl)-N-[1-(difluoromethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-N-[1-(difluoromethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-N-[1-(difluoromethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(C(F)F)n1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-[1-(difluoromethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is QVPGFBWXVSTUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N6O2/c1-19-10(8(7-16-19)12(23)20-4-2-5-20)11(22)17-9-3-6-21(18-9)13(14)15/h3,6-7,13H,2,4-5H2,1H3,(H,17,18,22).
What are the key properties of 4-(azetidine-1-carbonyl)-N-[1-(difluoromethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-[1-(difluoromethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 324.29 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-N-[1-(difluoromethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 165415421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).