1-(difluoromethyl)-N-[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]-5-methylpyrazole-3-carboxamide

C17H22F2N6O3 — CID 17025316

IUPAC1-(difluoromethyl)-N-[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]-5-methylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2cc(C)n(C(F)F)n2)c(C(=O)NCC2CCCO2)n1
InChIInChI=1S/C17H22F2N6O3/c1-3-24-9-13(14(23-24)16(27)20-8-11-5-4-6-28-11)21-15(26)12-7-10(2)25(22-12)17(18)19/h7,9,11,17H,3-6,8H2,1-2H3,(H,20,27)(H,21,26)
InChIKeyNSRFYMZUJCAFCP-UHFFFAOYSA-N
MW396.40 g/mol
LogP1.96
Rot. Bonds7

About 1-(difluoromethyl)-N-[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]-5-methylpyrazole-3-carboxamide

1-(difluoromethyl)-N-[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]-5-methylpyrazole-3-carboxamide (PubChem CID 17025316) has the molecular formula C17H22F2N6O3 and a molecular weight of 396.40 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]-5-methylpyrazole-3-carboxamide
PubChem CID17025316
Molecular FormulaC17H22F2N6O3
Molecular Weight396.40 g/mol
Exact Mass396.17
IUPAC Name1-(difluoromethyl)-N-[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]-5-methylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2cc(C)n(C(F)F)n2)c(C(=O)NCC2CCCO2)n1
InChIInChI=1S/C17H22F2N6O3/c1-3-24-9-13(14(23-24)16(27)20-8-11-5-4-6-28-11)21-15(26)12-7-10(2)25(22-12)17(18)19/h7,9,11,17H,3-6,8H2,1-2H3,(H,20,27)(H,21,26)
InChIKeyNSRFYMZUJCAFCP-UHFFFAOYSA-N
XLogP1.96
TPSA103.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(difluoromethyl)-N-[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]-5-methylpyrazole-3-carboxamide with MolForge

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Related Compounds

N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(tetrahydro-2-furanylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 45212693
N-cyclopentyl-4-({[1-(difluoromethyl)-5-methyl-1H-pyrazol-3-yl]carbonyl}amino)-1-ethyl-1H-pyrazole-3-carboxamide
CID 17025340
4-amino-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
CID 26871321
N-[5-(Aminocarbonyl)-1-methyl-1H-pyrazol-4-YL]-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4768469
1-methyl-N-{1-[(2,2,2-trifluoroethoxy)methyl]-1H-pyrazol-4-yl}-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 19582347
1-methyl-4-({[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}amino)-1H-pyrazole-3-carboxamide
CID 4768238
N-(3-carbamoyl-1-methyl-1H-pyrazol-4-yl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4768240
N-(5-carbamoyl-1-methyl-1H-pyrazol-4-yl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 4768439
4-[[2-[3-(Difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-3-carboxamide
CID 4771619
4-({[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}amino)-1-ethyl-1H-pyrazole-5-carboxamide
CID 4772077
1-(difluoromethyl)-N-[1-ethyl-5-(morpholin-4-ylcarbonyl)-1H-pyrazol-4-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 17025147
4-({[1-(difluoromethyl)-5-methyl-1H-pyrazol-3-yl]carbonyl}amino)-N,1-dimethyl-1H-pyrazole-3-carboxamide
CID 17025155

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]-5-methylpyrazole-3-carboxamide (CID 17025316) is 1-(difluoromethyl)-N-[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]-5-methylpyrazole-3-carboxamide is CCn1cc(NC(=O)c2cc(C)n(C(F)F)n2)c(C(=O)NCC2CCCO2)n1.
What is the InChIKey of 1-(difluoromethyl)-N-[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]-5-methylpyrazole-3-carboxamide?
The InChIKey is NSRFYMZUJCAFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N6O3/c1-3-24-9-13(14(23-24)16(27)20-8-11-5-4-6-28-11)21-15(26)12-7-10(2)25(22-12)17(18)19/h7,9,11,17H,3-6,8H2,1-2H3,(H,20,27)(H,21,26).
What are the key properties of 1-(difluoromethyl)-N-[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]-5-methylpyrazole-3-carboxamide?
1-(difluoromethyl)-N-[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]-5-methylpyrazole-3-carboxamide has a molecular weight of 396.40 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 17025316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).