4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-methylpyrazole-5-carboxamide

C10H10F2N6O2 — CID 4767870

IUPAC4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)c2ccn(C(F)F)n2)c1C(N)=O
InChIInChI=1S/C10H10F2N6O2/c1-17-7(8(13)19)6(4-14-17)15-9(20)5-2-3-18(16-5)10(11)12/h2-4,10H,1H3,(H2,13,19)(H,15,20)
InChIKeyUETFOZRGPSIUAR-UHFFFAOYSA-N
MW284.23 g/mol
LogP0.36
Rot. Bonds4

About 4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-methylpyrazole-5-carboxamide

4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-methylpyrazole-5-carboxamide (PubChem CID 4767870) has the molecular formula C10H10F2N6O2 and a molecular weight of 284.23 g/mol. Its IUPAC name is 4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-methylpyrazole-5-carboxamide
PubChem CID4767870
Molecular FormulaC10H10F2N6O2
Molecular Weight284.23 g/mol
Exact Mass284.08
IUPAC Name4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)c2ccn(C(F)F)n2)c1C(N)=O
InChIInChI=1S/C10H10F2N6O2/c1-17-7(8(13)19)6(4-14-17)15-9(20)5-2-3-18(16-5)10(11)12/h2-4,10H,1H3,(H2,13,19)(H,15,20)
InChIKeyUETFOZRGPSIUAR-UHFFFAOYSA-N
XLogP0.36
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 50.36
H-Bond Donors ≤ 52
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-(methylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide
CID 165415439
N-(1,3-dimethyl-1H-pyrazol-4-yl)-4-nitro-1-methyl-1H-pyrazole-3-carboxamide
CID 831427
N-(2,2-Dimethyl-1-(1H-pyrazol-1-ylmethyl)propyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 4771532
1-ethyl-4-{[(1,3,5-trimethyl-1H-pyrazol-4-yl)carbonyl]amino}-1H-pyrazole-3-carboxamide
CID 4772788
4-amino-N,1-diethyl-1H-pyrazole-5-carboxamide
CID 19620408
4-{[2-(4-chloro-5-methyl-1H-pyrazol-1-yl)propanoyl]amino}-1-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 4776508
4-{[2-(4-chloro-5-methyl-1H-pyrazol-1-yl)propanoyl]amino}-1-ethyl-N-propyl-1H-pyrazole-3-carboxamide
CID 4776652
4-{[2-(4-chloro-5-methyl-1H-pyrazol-1-yl)propanoyl]amino}-N,1-dimethyl-1H-pyrazole-3-carboxamide
CID 4776916
N-[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19398373

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-methylpyrazole-5-carboxamide (CID 4767870) is 4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-methylpyrazole-5-carboxamide is Cn1ncc(NC(=O)c2ccn(C(F)F)n2)c1C(N)=O.
What is the InChIKey of 4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-methylpyrazole-5-carboxamide?
The InChIKey is UETFOZRGPSIUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N6O2/c1-17-7(8(13)19)6(4-14-17)15-9(20)5-2-3-18(16-5)10(11)12/h2-4,10H,1H3,(H2,13,19)(H,15,20).
What are the key properties of 4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-methylpyrazole-5-carboxamide?
4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-methylpyrazole-5-carboxamide has a molecular weight of 284.23 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 4767870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).