1-benzyl-5-ethyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide

C19H26N4O — CID 120601726

IUPAC1-benzyl-5-ethyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC2CCNC(C)C2)cnn1Cc1ccccc1
InChIInChI=1S/C19H26N4O/c1-3-18-17(19(24)22-16-9-10-20-14(2)11-16)12-21-23(18)13-15-7-5-4-6-8-15/h4-8,12,14,16,20H,3,9-11,13H2,1-2H3,(H,22,24)
InChIKeyJYIIXHYJGUJSBS-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.36
Rot. Bonds5

About 1-benzyl-5-ethyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide

1-benzyl-5-ethyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide (PubChem CID 120601726) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-benzyl-5-ethyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-ethyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide
PubChem CID120601726
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-benzyl-5-ethyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC2CCNC(C)C2)cnn1Cc1ccccc1
InChIInChI=1S/C19H26N4O/c1-3-18-17(19(24)22-16-9-10-20-14(2)11-16)12-21-23(18)13-15-7-5-4-6-8-15/h4-8,12,14,16,20H,3,9-11,13H2,1-2H3,(H,22,24)
InChIKeyJYIIXHYJGUJSBS-UHFFFAOYSA-N
XLogP2.36
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide
CID 78874188
1-benzyl-5-ethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 112823781
1-benzyl-N-(2,3-dihydro-1H-inden-1-yl)-5-ethylpyrazole-4-carboxamide
CID 78873081
1-benzyl-3-methyl-N-(2-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 120598947
1-benzyl-N-(3,4-dihydro-2H-chromen-4-yl)-5-ethylpyrazole-4-carboxamide
CID 78872570
1-benzyl-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide
CID 78874296
N-(1-adamantyl)-1-benzyl-5-ethylpyrazole-4-carboxamide
CID 78873962
(1-benzyl-5-ethylpyrazol-4-yl)-[(3R,5R)-3,5-dimethylpiperazin-1-yl]methanone
CID 124589891
1-benzyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride
CID 119557582
1-benzyl-5-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide
CID 78902129
1-benzyl-5-methyl-N-piperidin-3-ylpyrazole-4-carboxamide
CID 119428406
N-(2-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120599481

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-ethyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-ethyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide (CID 120601726) is 1-benzyl-5-ethyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-ethyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-ethyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide is CCc1c(C(=O)NC2CCNC(C)C2)cnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-ethyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide?
The InChIKey is JYIIXHYJGUJSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-3-18-17(19(24)22-16-9-10-20-14(2)11-16)12-21-23(18)13-15-7-5-4-6-8-15/h4-8,12,14,16,20H,3,9-11,13H2,1-2H3,(H,22,24).
What are the key properties of 1-benzyl-5-ethyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide?
1-benzyl-5-ethyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-ethyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 120601726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).