2-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyrazole-3-carboxamide

C21H30N4O — CID 24791246

IUPAC2-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyrazole-3-carboxamide
SMILESCC(C)Cc1ccc(CN2CCCC(NC(=O)c3ccnn3C)C2)cc1
InChIInChI=1S/C21H30N4O/c1-16(2)13-17-6-8-18(9-7-17)14-25-12-4-5-19(15-25)23-21(26)20-10-11-22-24(20)3/h6-11,16,19H,4-5,12-15H2,1-3H3,(H,23,26)
InChIKeyVWBMQAOJOWMESA-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.01
Rot. Bonds6

About 2-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyrazole-3-carboxamide

2-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyrazole-3-carboxamide (PubChem CID 24791246) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 2-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyrazole-3-carboxamide
PubChem CID24791246
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name2-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyrazole-3-carboxamide
SMILESCC(C)Cc1ccc(CN2CCCC(NC(=O)c3ccnn3C)C2)cc1
InChIInChI=1S/C21H30N4O/c1-16(2)13-17-6-8-18(9-7-17)14-25-12-4-5-19(15-25)23-21(26)20-10-11-22-24(20)3/h6-11,16,19H,4-5,12-15H2,1-3H3,(H,23,26)
InChIKeyVWBMQAOJOWMESA-UHFFFAOYSA-N
XLogP3.01
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyrazole-3-carboxamide (CID 24791246) is 2-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyrazole-3-carboxamide is CC(C)Cc1ccc(CN2CCCC(NC(=O)c3ccnn3C)C2)cc1.
What is the InChIKey of 2-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is VWBMQAOJOWMESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-16(2)13-17-6-8-18(9-7-17)14-25-12-4-5-19(15-25)23-21(26)20-10-11-22-24(20)3/h6-11,16,19H,4-5,12-15H2,1-3H3,(H,23,26).
What are the key properties of 2-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyrazole-3-carboxamide?
2-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 24791246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).