2-(difluoromethyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]pyrazole-3-carboxamide

C15H18F2N6O2 — CID 4776669

IUPAC2-(difluoromethyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]pyrazole-3-carboxamide
SMILESCn1ncc(NC(=O)c2ccnn2C(F)F)c1C(=O)N1CCCCC1
InChIInChI=1S/C15H18F2N6O2/c1-21-12(14(25)22-7-3-2-4-8-22)10(9-19-21)20-13(24)11-5-6-18-23(11)15(16)17/h5-6,9,15H,2-4,7-8H2,1H3,(H,20,24)
InChIKeyZIQBBIZXJUXHJM-UHFFFAOYSA-N
MW352.35 g/mol
LogP1.89
Rot. Bonds4

About 2-(difluoromethyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]pyrazole-3-carboxamide

2-(difluoromethyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]pyrazole-3-carboxamide (PubChem CID 4776669) has the molecular formula C15H18F2N6O2 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]pyrazole-3-carboxamide
PubChem CID4776669
Molecular FormulaC15H18F2N6O2
Molecular Weight352.35 g/mol
Exact Mass352.15
IUPAC Name2-(difluoromethyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]pyrazole-3-carboxamide
SMILESCn1ncc(NC(=O)c2ccnn2C(F)F)c1C(=O)N1CCCCC1
InChIInChI=1S/C15H18F2N6O2/c1-21-12(14(25)22-7-3-2-4-8-22)10(9-19-21)20-13(24)11-5-6-18-23(11)15(16)17/h5-6,9,15H,2-4,7-8H2,1H3,(H,20,24)
InChIKeyZIQBBIZXJUXHJM-UHFFFAOYSA-N
XLogP1.89
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 844027
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 6469837
2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-3-carboxamide
CID 652342
4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]pyrazole-5-carboxamide
CID 165415372
4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide
CID 165415439
4-chloro-N-[1-methyl-5-(piperidin-1-ylcarbonyl)-1H-pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 17024057
N-[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19398373
[(2S,4S)-4-fluoro-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875994
[(2S,4S)-1-(2-ethylpyrazole-3-carbonyl)-4-fluoropyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875996
[(2S,4S)-1-(1-ethylpyrazole-3-carbonyl)-4-fluoropyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875997
Ethane-1,2-diamine, N,N'-(1-methyl-5-pyrazolylcarbonyl)-
CID 573224
2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 4773800

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]pyrazole-3-carboxamide (CID 4776669) is 2-(difluoromethyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]pyrazole-3-carboxamide is Cn1ncc(NC(=O)c2ccnn2C(F)F)c1C(=O)N1CCCCC1.
What is the InChIKey of 2-(difluoromethyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]pyrazole-3-carboxamide?
The InChIKey is ZIQBBIZXJUXHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N6O2/c1-21-12(14(25)22-7-3-2-4-8-22)10(9-19-21)20-13(24)11-5-6-18-23(11)15(16)17/h5-6,9,15H,2-4,7-8H2,1H3,(H,20,24).
What are the key properties of 2-(difluoromethyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]pyrazole-3-carboxamide?
2-(difluoromethyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]pyrazole-3-carboxamide has a molecular weight of 352.35 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 4776669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).