3-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide

C12H20N4O — CID 66122699

IUPAC3-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NCC2CCCN2)n(C)n1
InChIInChI=1S/C12H20N4O/c1-3-9-7-11(16(2)15-9)12(17)14-8-10-5-4-6-13-10/h7,10,13H,3-6,8H2,1-2H3,(H,14,17)
InChIKeyJOGLGSJOQLDVAW-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.46
Rot. Bonds4

About 3-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide

3-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide (PubChem CID 66122699) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide
PubChem CID66122699
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NCC2CCCN2)n(C)n1
InChIInChI=1S/C12H20N4O/c1-3-9-7-11(16(2)15-9)12(17)14-8-10-5-4-6-13-10/h7,10,13H,3-6,8H2,1-2H3,(H,14,17)
InChIKeyJOGLGSJOQLDVAW-UHFFFAOYSA-N
XLogP0.46
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-methyl-N-(2-piperidin-2-ylethyl)pyrazole-5-carboxamide
CID 66120526
3-ethyl-N-[(3-ethylpiperidin-2-yl)methyl]-1-methylpyrazole-5-carboxamide
CID 82735356
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
N-[(2-bromocyclohexyl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 113275160
1,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 55084391
1-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride
CID 119511635
(3-ethyl-1-methylpyrazol-5-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 66120759
N-(2-bromo-2-cyclopropylethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114315903
4-bromo-1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119510103
3-ethyl-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrazole-5-carboxamide
CID 66121924
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 103969422

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide?
The IUPAC name of 3-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide (CID 66122699) is 3-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide is CCc1cc(C(=O)NCC2CCCN2)n(C)n1.
What is the InChIKey of 3-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide?
The InChIKey is JOGLGSJOQLDVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-9-7-11(16(2)15-9)12(17)14-8-10-5-4-6-13-10/h7,10,13H,3-6,8H2,1-2H3,(H,14,17).
What are the key properties of 3-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide?
3-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 66122699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).