1,3-dimethyl-5-(2-piperidin-3-ylethoxy)pyrazole-4-carboxamide

C13H22N4O2 — CID 63757545

IUPAC1,3-dimethyl-5-(2-piperidin-3-ylethoxy)pyrazole-4-carboxamide
SMILESCc1nn(C)c(OCCC2CCCNC2)c1C(N)=O
InChIInChI=1S/C13H22N4O2/c1-9-11(12(14)18)13(17(2)16-9)19-7-5-10-4-3-6-15-8-10/h10,15H,3-8H2,1-2H3,(H2,14,18)
InChIKeyNGXOYWQQFDBBST-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.60
Rot. Bonds5

About 1,3-dimethyl-5-(2-piperidin-3-ylethoxy)pyrazole-4-carboxamide

1,3-dimethyl-5-(2-piperidin-3-ylethoxy)pyrazole-4-carboxamide (PubChem CID 63757545) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1,3-dimethyl-5-(2-piperidin-3-ylethoxy)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-5-(2-piperidin-3-ylethoxy)pyrazole-4-carboxamide
PubChem CID63757545
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1,3-dimethyl-5-(2-piperidin-3-ylethoxy)pyrazole-4-carboxamide
SMILESCc1nn(C)c(OCCC2CCCNC2)c1C(N)=O
InChIInChI=1S/C13H22N4O2/c1-9-11(12(14)18)13(17(2)16-9)19-7-5-10-4-3-6-15-8-10/h10,15H,3-8H2,1-2H3,(H2,14,18)
InChIKeyNGXOYWQQFDBBST-UHFFFAOYSA-N
XLogP0.60
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-5-(pyrrolidin-3-ylmethoxy)pyrazole-4-carboxamide
CID 63757374
1,3-dimethyl-5-piperidin-3-yloxypyrazole-4-carboxamide
CID 55241527
5-(2-cyclobutylethoxy)-1,3-dimethylpyrazole-4-carbothioamide
CID 114157476
3-[2-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxyethyl]piperidine
CID 66014859
1,3-dimethyl-5-(piperidin-3-ylmethoxy)pyrazole-4-carbonitrile
CID 55241528
2-methyl-5-(2-piperidin-3-ylethoxy)-1,3,4-thiadiazole
CID 65208510
2-methyl-3-[2-[(3R)-piperidin-3-yl]ethoxy]pyrazine
CID 97163244
5-(4-aminocyclohexyl)oxy-1,3-dimethylpyrazole-4-carboxamide
CID 63757883
2-[(3S)-piperidin-3-yl]ethyl 2-methylpropanoate
CID 86319632
1,3-dimethyl-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrazole-4-carboxylic acid
CID 55243865
2-piperidin-3-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 55105252
1,3-dimethyl-5-(1-piperidin-3-ylethylamino)pyrazole-4-carboxamide
CID 63757859

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(2-piperidin-3-ylethoxy)pyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-5-(2-piperidin-3-ylethoxy)pyrazole-4-carboxamide (CID 63757545) is 1,3-dimethyl-5-(2-piperidin-3-ylethoxy)pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-5-(2-piperidin-3-ylethoxy)pyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-5-(2-piperidin-3-ylethoxy)pyrazole-4-carboxamide is Cc1nn(C)c(OCCC2CCCNC2)c1C(N)=O.
What is the InChIKey of 1,3-dimethyl-5-(2-piperidin-3-ylethoxy)pyrazole-4-carboxamide?
The InChIKey is NGXOYWQQFDBBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9-11(12(14)18)13(17(2)16-9)19-7-5-10-4-3-6-15-8-10/h10,15H,3-8H2,1-2H3,(H2,14,18).
What are the key properties of 1,3-dimethyl-5-(2-piperidin-3-ylethoxy)pyrazole-4-carboxamide?
1,3-dimethyl-5-(2-piperidin-3-ylethoxy)pyrazole-4-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(2-piperidin-3-ylethoxy)pyrazole-4-carboxamide is sourced from PubChem (CID 63757545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).