4,4-difluoro-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]piperidine-1-carboxamide

C17H20F2N4O2 — CID 72921605

IUPAC4,4-difluoro-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]piperidine-1-carboxamide
SMILESCOc1ccc(-n2nc(C)cc2NC(=O)N2CCC(F)(F)CC2)cc1
InChIInChI=1S/C17H20F2N4O2/c1-12-11-15(20-16(24)22-9-7-17(18,19)8-10-22)23(21-12)13-3-5-14(25-2)6-4-13/h3-6,11H,7-10H2,1-2H3,(H,20,24)
InChIKeyPQSOUBNTFOPJNP-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.45
Rot. Bonds3

About 4,4-difluoro-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]piperidine-1-carboxamide

4,4-difluoro-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]piperidine-1-carboxamide (PubChem CID 72921605) has the molecular formula C17H20F2N4O2 and a molecular weight of 350.37 g/mol. Its IUPAC name is 4,4-difluoro-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]piperidine-1-carboxamide
PubChem CID72921605
Molecular FormulaC17H20F2N4O2
Molecular Weight350.37 g/mol
Exact Mass350.16
IUPAC Name4,4-difluoro-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]piperidine-1-carboxamide
SMILESCOc1ccc(-n2nc(C)cc2NC(=O)N2CCC(F)(F)CC2)cc1
InChIInChI=1S/C17H20F2N4O2/c1-12-11-15(20-16(24)22-9-7-17(18,19)8-10-22)23(21-12)13-3-5-14(25-2)6-4-13/h3-6,11H,7-10H2,1-2H3,(H,20,24)
InChIKeyPQSOUBNTFOPJNP-UHFFFAOYSA-N
XLogP3.45
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 97268219
4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyrazolidin-3-ylpiperidine-1-carboxamide
CID 134086399
1-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyrrolidin-3-ylurea
CID 156608046
2-(4-methoxyphenyl)sulfanyl-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]propanamide
CID 55870185
[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 42001529
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide
CID 139006106
6-methoxy-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 156584796
(3S)-N-(2,5-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 94824109
3,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 2359886
4,4-difluoro-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]piperidine-1-carboxamide
CID 121498449
N-[2-[[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 75466540

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]piperidine-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]piperidine-1-carboxamide (CID 72921605) is 4,4-difluoro-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]piperidine-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]piperidine-1-carboxamide is COc1ccc(-n2nc(C)cc2NC(=O)N2CCC(F)(F)CC2)cc1.
What is the InChIKey of 4,4-difluoro-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]piperidine-1-carboxamide?
The InChIKey is PQSOUBNTFOPJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O2/c1-12-11-15(20-16(24)22-9-7-17(18,19)8-10-22)23(21-12)13-3-5-14(25-2)6-4-13/h3-6,11H,7-10H2,1-2H3,(H,20,24).
What are the key properties of 4,4-difluoro-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]piperidine-1-carboxamide?
4,4-difluoro-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]piperidine-1-carboxamide has a molecular weight of 350.37 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 72921605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).