4-(azetidine-1-carbonyl)-N-[1-(2,2-difluoroethyl)-5-methylpyrazol-3-yl]-1-methylpyrazole-5-carboxamide

C15H18F2N6O2 — CID 165415385

IUPAC4-(azetidine-1-carbonyl)-N-[1-(2,2-difluoroethyl)-5-methylpyrazol-3-yl]-1-methylpyrazole-5-carboxamide
SMILESCc1cc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)nn1CC(F)F
InChIInChI=1S/C15H18F2N6O2/c1-9-6-12(20-23(9)8-11(16)17)19-14(24)13-10(7-18-21(13)2)15(25)22-4-3-5-22/h6-7,11H,3-5,8H2,1-2H3,(H,19,20,24)
InChIKeyMFYXPESTKITPCM-UHFFFAOYSA-N
MW352.35 g/mol
LogP1.29
Rot. Bonds5

About 4-(azetidine-1-carbonyl)-N-[1-(2,2-difluoroethyl)-5-methylpyrazol-3-yl]-1-methylpyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-N-[1-(2,2-difluoroethyl)-5-methylpyrazol-3-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 165415385) has the molecular formula C15H18F2N6O2 and a molecular weight of 352.35 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-[1-(2,2-difluoroethyl)-5-methylpyrazol-3-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-N-[1-(2,2-difluoroethyl)-5-methylpyrazol-3-yl]-1-methylpyrazole-5-carboxamide
PubChem CID165415385
Molecular FormulaC15H18F2N6O2
Molecular Weight352.35 g/mol
Exact Mass352.15
IUPAC Name4-(azetidine-1-carbonyl)-N-[1-(2,2-difluoroethyl)-5-methylpyrazol-3-yl]-1-methylpyrazole-5-carboxamide
SMILESCc1cc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)nn1CC(F)F
InChIInChI=1S/C15H18F2N6O2/c1-9-6-12(20-23(9)8-11(16)17)19-14(24)13-10(7-18-21(13)2)15(25)22-4-3-5-22/h6-7,11H,3-5,8H2,1-2H3,(H,19,20,24)
InChIKeyMFYXPESTKITPCM-UHFFFAOYSA-N
XLogP1.29
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(azetidine-1-carbonyl)-N-[1-(2-fluoroethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415409
4-(azetidine-1-carbonyl)-N-[1-(difluoromethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415421
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-(2,2-difluoroethyl)-5-methylpyrazol-3-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-N-[1-(2,2-difluoroethyl)-5-methylpyrazol-3-yl]-1-methylpyrazole-5-carboxamide (CID 165415385) is 4-(azetidine-1-carbonyl)-N-[1-(2,2-difluoroethyl)-5-methylpyrazol-3-yl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-N-[1-(2,2-difluoroethyl)-5-methylpyrazol-3-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-N-[1-(2,2-difluoroethyl)-5-methylpyrazol-3-yl]-1-methylpyrazole-5-carboxamide is Cc1cc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)nn1CC(F)F.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-[1-(2,2-difluoroethyl)-5-methylpyrazol-3-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is MFYXPESTKITPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N6O2/c1-9-6-12(20-23(9)8-11(16)17)19-14(24)13-10(7-18-21(13)2)15(25)22-4-3-5-22/h6-7,11H,3-5,8H2,1-2H3,(H,19,20,24).
What are the key properties of 4-(azetidine-1-carbonyl)-N-[1-(2,2-difluoroethyl)-5-methylpyrazol-3-yl]-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-[1-(2,2-difluoroethyl)-5-methylpyrazol-3-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 352.35 g/mol, XLogP of 1.29, 5 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-(2,2-difluoroethyl)-5-methylpyrazol-3-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 165415385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).