4-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

C14H21F2N5O2 — CID 138997881

IUPAC4-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCc1[nH]nc(C(F)F)c1NC(=O)C1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C14H21F2N5O2/c1-8-10(11(12(15)16)19-18-8)17-13(22)9-4-6-21(7-5-9)14(23)20(2)3/h9,12H,4-7H2,1-3H3,(H,17,22)(H,18,19)
InChIKeyDOPUZCBWUOZOFC-UHFFFAOYSA-N
MW329.35 g/mol
LogP1.99
Rot. Bonds3

About 4-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

4-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (PubChem CID 138997881) has the molecular formula C14H21F2N5O2 and a molecular weight of 329.35 g/mol. Its IUPAC name is 4-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
PubChem CID138997881
Molecular FormulaC14H21F2N5O2
Molecular Weight329.35 g/mol
Exact Mass329.17
IUPAC Name4-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCc1[nH]nc(C(F)F)c1NC(=O)C1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C14H21F2N5O2/c1-8-10(11(12(15)16)19-18-8)17-13(22)9-4-6-21(7-5-9)14(23)20(2)3/h9,12H,4-7H2,1-3H3,(H,17,22)(H,18,19)
InChIKeyDOPUZCBWUOZOFC-UHFFFAOYSA-N
XLogP1.99
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1-propanoylpyrrolidine-3-carboxamide
CID 146131543
(3R)-1-benzyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]piperidine-3-carboxamide
CID 124882392
4-N-(3,5-dimethylphenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 56923353
1-N,1-N-dimethyl-4-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxamide
CID 47136046
1-N,1-N-dimethyl-4-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1,4-dicarboxamide
CID 103716377
N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(oxan-4-yl)acetamide
CID 138997880
4-N-(2-aminophenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119422188
4-N-(1-hydroxypropan-2-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 43501083
trans-(1R,2R)-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 155955606
4-N-tert-butyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 60779224
N-(3,5-dimethyl-1H-pyrazol-4-yl)piperidine-4-carboxamide
CID 43547730
1-acetyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide
CID 78927453

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (CID 138997881) is 4-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is Cc1[nH]nc(C(F)F)c1NC(=O)C1CCN(C(=O)N(C)C)CC1.
What is the InChIKey of 4-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The InChIKey is DOPUZCBWUOZOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N5O2/c1-8-10(11(12(15)16)19-18-8)17-13(22)9-4-6-21(7-5-9)14(23)20(2)3/h9,12H,4-7H2,1-3H3,(H,17,22)(H,18,19).
What are the key properties of 4-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
4-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide has a molecular weight of 329.35 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 138997881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).