3-ethyl-N-[(3-ethylpiperidin-2-yl)methyl]-1-methylpyrazole-5-carboxamide

C15H26N4O — CID 82735356

IUPAC3-ethyl-N-[(3-ethylpiperidin-2-yl)methyl]-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NCC2NCCCC2CC)n(C)n1
InChIInChI=1S/C15H26N4O/c1-4-11-7-6-8-16-13(11)10-17-15(20)14-9-12(5-2)18-19(14)3/h9,11,13,16H,4-8,10H2,1-3H3,(H,17,20)
InChIKeySEAJPTWNWSQZPI-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.49
Rot. Bonds5

About 3-ethyl-N-[(3-ethylpiperidin-2-yl)methyl]-1-methylpyrazole-5-carboxamide

3-ethyl-N-[(3-ethylpiperidin-2-yl)methyl]-1-methylpyrazole-5-carboxamide (PubChem CID 82735356) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-ethyl-N-[(3-ethylpiperidin-2-yl)methyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[(3-ethylpiperidin-2-yl)methyl]-1-methylpyrazole-5-carboxamide
PubChem CID82735356
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-ethyl-N-[(3-ethylpiperidin-2-yl)methyl]-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NCC2NCCCC2CC)n(C)n1
InChIInChI=1S/C15H26N4O/c1-4-11-7-6-8-16-13(11)10-17-15(20)14-9-12(5-2)18-19(14)3/h9,11,13,16H,4-8,10H2,1-3H3,(H,17,20)
InChIKeySEAJPTWNWSQZPI-UHFFFAOYSA-N
XLogP1.49
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide
CID 66122699
N-[(2-bromocyclohexyl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 113275160
3-ethyl-1-methyl-N-(2-piperidin-2-ylethyl)pyrazole-5-carboxamide
CID 66120526
N-cyclopropyl-3-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide
CID 106599278
3-ethyl-N-(2-methoxyethyl)-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide
CID 106611441
3-ethyl-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrazole-5-carboxamide
CID 66121924
N-[(3-ethylpiperidin-2-yl)methyl]-2-(4-fluorophenyl)acetamide
CID 82734161
N-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121735
(3-ethyl-1-methylpyrazol-5-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 66120759
N-[(3-ethylpiperidin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide
CID 107014745
N-[(3-ethylpiperidin-2-yl)methyl]-3-methoxy-4-methylbenzamide
CID 82731476
N-[(3-ethylpiperidin-2-yl)methyl]-2-hydroxy-4-methoxybenzamide
CID 82732421

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(3-ethylpiperidin-2-yl)methyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-ethyl-N-[(3-ethylpiperidin-2-yl)methyl]-1-methylpyrazole-5-carboxamide (CID 82735356) is 3-ethyl-N-[(3-ethylpiperidin-2-yl)methyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-[(3-ethylpiperidin-2-yl)methyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-ethyl-N-[(3-ethylpiperidin-2-yl)methyl]-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)NCC2NCCCC2CC)n(C)n1.
What is the InChIKey of 3-ethyl-N-[(3-ethylpiperidin-2-yl)methyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is SEAJPTWNWSQZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-11-7-6-8-16-13(11)10-17-15(20)14-9-12(5-2)18-19(14)3/h9,11,13,16H,4-8,10H2,1-3H3,(H,17,20).
What are the key properties of 3-ethyl-N-[(3-ethylpiperidin-2-yl)methyl]-1-methylpyrazole-5-carboxamide?
3-ethyl-N-[(3-ethylpiperidin-2-yl)methyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(3-ethylpiperidin-2-yl)methyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 82735356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).