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

C12H20N4O — CID 103121074

IUPAC1-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NCC2(C)CCNCC2)n1
InChIInChI=1S/C12H20N4O/c1-12(4-6-13-7-5-12)9-14-11(17)10-3-8-16(2)15-10/h3,8,13H,4-7,9H2,1-2H3,(H,14,17)
InChIKeyHDBIFTXWUZHWPV-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.54
Rot. Bonds3

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

1-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-3-carboxamide (PubChem CID 103121074) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-3-carboxamide
PubChem CID103121074
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NCC2(C)CCNCC2)n1
InChIInChI=1S/C12H20N4O/c1-12(4-6-13-7-5-12)9-14-11(17)10-3-8-16(2)15-10/h3,8,13H,4-7,9H2,1-2H3,(H,14,17)
InChIKeyHDBIFTXWUZHWPV-UHFFFAOYSA-N
XLogP0.54
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 ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylpyrazole-3-carboxamide
CID 103123164
(1-methylpyrazol-3-yl)-(4-propylpiperidin-4-yl)methanone
CID 103133140
1-ethyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-4-carboxamide
CID 99821300
N-(2-amino-2-sulfanylideneethyl)-1-methylpyrazole-3-carboxamide
CID 103117884
N-[1-(hydroxymethyl)cyclopropyl]-1-methylpyrazole-3-carboxamide
CID 103881085
1-methyl-N-(5-oxa-2-azaspiro[3.4]octan-6-ylmethyl)pyrazole-3-carboxamide
CID 146135514
1-methyl-N-[(4-methylpiperidin-3-yl)methyl]pyrazole-3-carboxamide
CID 103117492
N-[(2S)-2-hydroxypropyl]-1-methylpyrazole-3-carboxamide
CID 103884663
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 120887142
N-(2-chloro-3-methylbutyl)-1-methylpyrazole-3-carboxamide
CID 103122874
1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-3-carboxamide
CID 103120955
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2H-triazole-4-carboxamide
CID 113364724

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-3-carboxamide (CID 103121074) is 1-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-3-carboxamide is Cn1ccc(C(=O)NCC2(C)CCNCC2)n1.
What is the InChIKey of 1-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is HDBIFTXWUZHWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-12(4-6-13-7-5-12)9-14-11(17)10-3-8-16(2)15-10/h3,8,13H,4-7,9H2,1-2H3,(H,14,17).
What are the key properties of 1-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-3-carboxamide?
1-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.54, 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-4-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 103121074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).