1-ethyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-4-carboxamide

C13H22N4O — CID 99821300

IUPAC1-ethyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCC2(C)CCNCC2)cn1
InChIInChI=1S/C13H22N4O/c1-3-17-9-11(8-16-17)12(18)15-10-13(2)4-6-14-7-5-13/h8-9,14H,3-7,10H2,1-2H3,(H,15,18)
InChIKeyVGNHINHPYGEKCD-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.02
Rot. Bonds4

About 1-ethyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-4-carboxamide

1-ethyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-4-carboxamide (PubChem CID 99821300) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-ethyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-4-carboxamide
PubChem CID99821300
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-ethyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCC2(C)CCNCC2)cn1
InChIInChI=1S/C13H22N4O/c1-3-17-9-11(8-16-17)12(18)15-10-13(2)4-6-14-7-5-13/h8-9,14H,3-7,10H2,1-2H3,(H,15,18)
InChIKeyVGNHINHPYGEKCD-UHFFFAOYSA-N
XLogP1.02
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 120888817
1-ethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]pyrazole-4-carboxamide
CID 138011803
1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 119511592
N-ethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide
CID 170994982
1-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-3-carboxamide
CID 103121074
(1-ethylpyrazol-4-yl)-piperazin-1-ylmethanone
CID 83883921
1-ethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrazole-4-carboxamide
CID 99776064
3-bromo-5-chloro-N-[(4-methylpiperidin-4-yl)methyl]benzamide
CID 107940194
N-(2-amino-2-methylpropyl)-1-ethylpyrazole-4-carboxamide
CID 119627511
1-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide
CID 119556637
1-ethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 19281043
(3,5-dimethyl-1-adamantyl)-(1-ethylpyrazol-4-yl)methanone
CID 79994662

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-4-carboxamide (CID 99821300) is 1-ethyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-4-carboxamide is CCn1cc(C(=O)NCC2(C)CCNCC2)cn1.
What is the InChIKey of 1-ethyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is VGNHINHPYGEKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-17-9-11(8-16-17)12(18)15-10-13(2)4-6-14-7-5-13/h8-9,14H,3-7,10H2,1-2H3,(H,15,18).
What are the key properties of 1-ethyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-4-carboxamide?
1-ethyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 99821300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).