5-(difluoromethoxy)-1-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyrazole-3-carboxamide

C15H20F2N6O2 — CID 136537530

IUPAC5-(difluoromethoxy)-1-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyrazole-3-carboxamide
SMILESCN1CCC(n2ccc(NC(=O)c3cc(OC(F)F)n(C)n3)n2)CC1
InChIInChI=1S/C15H20F2N6O2/c1-21-6-3-10(4-7-21)23-8-5-12(20-23)18-14(24)11-9-13(22(2)19-11)25-15(16)17/h5,8-10,15H,3-4,6-7H2,1-2H3,(H,18,20,24)
InChIKeyNPFHYJSMNMRLMO-UHFFFAOYSA-N
MW354.36 g/mol
LogP1.74
Rot. Bonds5

About 5-(difluoromethoxy)-1-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyrazole-3-carboxamide

5-(difluoromethoxy)-1-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyrazole-3-carboxamide (PubChem CID 136537530) has the molecular formula C15H20F2N6O2 and a molecular weight of 354.36 g/mol. Its IUPAC name is 5-(difluoromethoxy)-1-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(difluoromethoxy)-1-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyrazole-3-carboxamide
PubChem CID136537530
Molecular FormulaC15H20F2N6O2
Molecular Weight354.36 g/mol
Exact Mass354.16
IUPAC Name5-(difluoromethoxy)-1-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyrazole-3-carboxamide
SMILESCN1CCC(n2ccc(NC(=O)c3cc(OC(F)F)n(C)n3)n2)CC1
InChIInChI=1S/C15H20F2N6O2/c1-21-6-3-10(4-7-21)23-8-5-12(20-23)18-14(24)11-9-13(22(2)19-11)25-15(16)17/h5,8-10,15H,3-4,6-7H2,1-2H3,(H,18,20,24)
InChIKeyNPFHYJSMNMRLMO-UHFFFAOYSA-N
XLogP1.74
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 132296312
N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 132298805
3-[chloro(difluoro)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide
CID 164879721
3-(2,2-difluoroethoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide
CID 164879741
N-(2-tert-butylpyrazol-3-yl)-1-methyl-3-(trifluoromethoxy)pyrazole-5-carboxamide;(1-methylcyclopropyl)carbamic acid;oxolane
CID 164879918
1-methyl-N-(1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide
CID 164880261
N-(2-tert-butylpyrazol-3-yl)-3-[chloro(difluoro)methoxy]-1-methylpyrazole-5-carboxamide
CID 169142212
3-(2,2-difluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide;oxolane
CID 169142668
3-[(3,3-difluorocyclobutyl)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide
CID 170105411
1-(2,2-difluoroethyl)-N-(6-propan-2-yloxypyridazin-3-yl)pyrazole-3-carboxamide
CID 99838246
[5-(Difluoromethoxy)-1-methylpyrazol-3-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone
CID 126789204
5-(difluoromethoxy)-1-methyl-N-(2,4,5-trimethylpyrazol-3-yl)pyrazole-3-carboxamide
CID 136531898

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-1-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 5-(difluoromethoxy)-1-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyrazole-3-carboxamide (CID 136537530) is 5-(difluoromethoxy)-1-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-(difluoromethoxy)-1-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 5-(difluoromethoxy)-1-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyrazole-3-carboxamide is CN1CCC(n2ccc(NC(=O)c3cc(OC(F)F)n(C)n3)n2)CC1.
What is the InChIKey of 5-(difluoromethoxy)-1-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyrazole-3-carboxamide?
The InChIKey is NPFHYJSMNMRLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N6O2/c1-21-6-3-10(4-7-21)23-8-5-12(20-23)18-14(24)11-9-13(22(2)19-11)25-15(16)17/h5,8-10,15H,3-4,6-7H2,1-2H3,(H,18,20,24).
What are the key properties of 5-(difluoromethoxy)-1-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyrazole-3-carboxamide?
5-(difluoromethoxy)-1-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyrazole-3-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-1-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 136537530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).