2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazole-4-carboxamide

C19H30N6O — CID 53181540

IUPAC2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazole-4-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)c1nc(C)n(C2CCN(C)CC2)c1C
InChIInChI=1S/C19H30N6O/c1-12-17(13(2)24(6)22-12)11-20-19(26)18-14(3)25(15(4)21-18)16-7-9-23(5)10-8-16/h16H,7-11H2,1-6H3,(H,20,26)
InChIKeyJGCFOKDJDIZKPN-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.05
Rot. Bonds4

About 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazole-4-carboxamide

2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazole-4-carboxamide (PubChem CID 53181540) has the molecular formula C19H30N6O and a molecular weight of 358.49 g/mol. Its IUPAC name is 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazole-4-carboxamide
PubChem CID53181540
Molecular FormulaC19H30N6O
Molecular Weight358.49 g/mol
Exact Mass358.25
IUPAC Name2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazole-4-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)c1nc(C)n(C2CCN(C)CC2)c1C
InChIInChI=1S/C19H30N6O/c1-12-17(13(2)24(6)22-12)11-20-19(26)18-14(3)25(15(4)21-18)16-7-9-23(5)10-8-16/h16H,7-11H2,1-6H3,(H,20,26)
InChIKeyJGCFOKDJDIZKPN-UHFFFAOYSA-N
XLogP2.05
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazole-4-carboxamide?
The IUPAC name of 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazole-4-carboxamide (CID 53181540) is 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazole-4-carboxamide.
What is the SMILES notation for 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazole-4-carboxamide?
The canonical SMILES for 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazole-4-carboxamide is Cc1nn(C)c(C)c1CNC(=O)c1nc(C)n(C2CCN(C)CC2)c1C.
What is the InChIKey of 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazole-4-carboxamide?
The InChIKey is JGCFOKDJDIZKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O/c1-12-17(13(2)24(6)22-12)11-20-19(26)18-14(3)25(15(4)21-18)16-7-9-23(5)10-8-16/h16H,7-11H2,1-6H3,(H,20,26).
What are the key properties of 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazole-4-carboxamide?
2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazole-4-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 53181540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).