1-methyl-N-[(4-methylpiperidin-3-yl)methyl]pyrazole-3-carboxamide

C12H20N4O — CID 103117492

IUPAC1-methyl-N-[(4-methylpiperidin-3-yl)methyl]pyrazole-3-carboxamide
SMILESCC1CCNCC1CNC(=O)c1ccn(C)n1
InChIInChI=1S/C12H20N4O/c1-9-3-5-13-7-10(9)8-14-12(17)11-4-6-16(2)15-11/h4,6,9-10,13H,3,5,7-8H2,1-2H3,(H,14,17)
InChIKeyIEYOFYUGWHRZJR-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.40
Rot. Bonds3

About 1-methyl-N-[(4-methylpiperidin-3-yl)methyl]pyrazole-3-carboxamide

1-methyl-N-[(4-methylpiperidin-3-yl)methyl]pyrazole-3-carboxamide (PubChem CID 103117492) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-methyl-N-[(4-methylpiperidin-3-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(4-methylpiperidin-3-yl)methyl]pyrazole-3-carboxamide
PubChem CID103117492
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-methyl-N-[(4-methylpiperidin-3-yl)methyl]pyrazole-3-carboxamide
SMILESCC1CCNCC1CNC(=O)c1ccn(C)n1
InChIInChI=1S/C12H20N4O/c1-9-3-5-13-7-10(9)8-14-12(17)11-4-6-16(2)15-11/h4,6,9-10,13H,3,5,7-8H2,1-2H3,(H,14,17)
InChIKeyIEYOFYUGWHRZJR-UHFFFAOYSA-N
XLogP0.40
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-3-carboxamide
CID 103120955
N-[[2-(chloromethyl)cyclopentyl]methyl]-1-methylpyrazole-3-carboxamide
CID 103122655
3-(dimethylamino)-N-[(4-methylpiperidin-3-yl)methyl]benzamide
CID 114955769
1-methyl-N-(thiolan-3-ylmethyl)pyrazole-3-carboxamide
CID 146126965
1-methyl-N-(5-oxa-2-azaspiro[3.4]octan-6-ylmethyl)pyrazole-3-carboxamide
CID 146135514
3-fluoro-4-methyl-N-[(4-methylpiperidin-3-yl)methyl]benzamide
CID 114955798
N,1-dimethyl-N-piperidin-4-ylpyrazole-3-carboxamide
CID 103120629
N-[(4-methylpiperidin-3-yl)methyl]propanamide
CID 114955720
1-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-3-carboxamide
CID 103121074
2-hydroxy-5-methoxy-N-[(4-methylpiperidin-3-yl)methyl]benzamide
CID 114955702
2,3-dimethoxy-N-[(4-methylpiperidin-3-yl)methyl]benzamide
CID 114955616
2,5-dimethyl-N-[(3-methylpiperidin-4-yl)methyl]pyrazole-3-carboxamide
CID 114700062

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-methylpiperidin-3-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[(4-methylpiperidin-3-yl)methyl]pyrazole-3-carboxamide (CID 103117492) is 1-methyl-N-[(4-methylpiperidin-3-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[(4-methylpiperidin-3-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[(4-methylpiperidin-3-yl)methyl]pyrazole-3-carboxamide is CC1CCNCC1CNC(=O)c1ccn(C)n1.
What is the InChIKey of 1-methyl-N-[(4-methylpiperidin-3-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is IEYOFYUGWHRZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-3-5-13-7-10(9)8-14-12(17)11-4-6-16(2)15-11/h4,6,9-10,13H,3,5,7-8H2,1-2H3,(H,14,17).
What are the key properties of 1-methyl-N-[(4-methylpiperidin-3-yl)methyl]pyrazole-3-carboxamide?
1-methyl-N-[(4-methylpiperidin-3-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-methylpiperidin-3-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 103117492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).