1-(2-methylphenyl)-N-[[(2R)-6-oxopiperidin-2-yl]methyl]pyrazole-4-carboxamide

C17H20N4O2 — CID 154844458

IUPAC1-(2-methylphenyl)-N-[[(2R)-6-oxopiperidin-2-yl]methyl]pyrazole-4-carboxamide
SMILESCc1ccccc1-n1cc(C(=O)NC[C@H]2CCCC(=O)N2)cn1
InChIInChI=1S/C17H20N4O2/c1-12-5-2-3-7-15(12)21-11-13(9-19-21)17(23)18-10-14-6-4-8-16(22)20-14/h2-3,5,7,9,11,14H,4,6,8,10H2,1H3,(H,18,23)(H,20,22)/t14-/m1/s1
InChIKeyIRLDVBFZBACBJK-CQSZACIVSA-N
MW312.37 g/mol
LogP1.58
Rot. Bonds4

About 1-(2-methylphenyl)-N-[[(2R)-6-oxopiperidin-2-yl]methyl]pyrazole-4-carboxamide

1-(2-methylphenyl)-N-[[(2R)-6-oxopiperidin-2-yl]methyl]pyrazole-4-carboxamide (PubChem CID 154844458) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-[[(2R)-6-oxopiperidin-2-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-[[(2R)-6-oxopiperidin-2-yl]methyl]pyrazole-4-carboxamide
PubChem CID154844458
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name1-(2-methylphenyl)-N-[[(2R)-6-oxopiperidin-2-yl]methyl]pyrazole-4-carboxamide
SMILESCc1ccccc1-n1cc(C(=O)NC[C@H]2CCCC(=O)N2)cn1
InChIInChI=1S/C17H20N4O2/c1-12-5-2-3-7-15(12)21-11-13(9-19-21)17(23)18-10-14-6-4-8-16(22)20-14/h2-3,5,7,9,11,14H,4,6,8,10H2,1H3,(H,18,23)(H,20,22)/t14-/m1/s1
InChIKeyIRLDVBFZBACBJK-CQSZACIVSA-N
XLogP1.58
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-[[(2R)-6-oxopiperidin-2-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(2-methylphenyl)-N-[[(2R)-6-oxopiperidin-2-yl]methyl]pyrazole-4-carboxamide (CID 154844458) is 1-(2-methylphenyl)-N-[[(2R)-6-oxopiperidin-2-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-methylphenyl)-N-[[(2R)-6-oxopiperidin-2-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-methylphenyl)-N-[[(2R)-6-oxopiperidin-2-yl]methyl]pyrazole-4-carboxamide is Cc1ccccc1-n1cc(C(=O)NC[C@H]2CCCC(=O)N2)cn1.
What is the InChIKey of 1-(2-methylphenyl)-N-[[(2R)-6-oxopiperidin-2-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is IRLDVBFZBACBJK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12-5-2-3-7-15(12)21-11-13(9-19-21)17(23)18-10-14-6-4-8-16(22)20-14/h2-3,5,7,9,11,14H,4,6,8,10H2,1H3,(H,18,23)(H,20,22)/t14-/m1/s1.
What are the key properties of 1-(2-methylphenyl)-N-[[(2R)-6-oxopiperidin-2-yl]methyl]pyrazole-4-carboxamide?
1-(2-methylphenyl)-N-[[(2R)-6-oxopiperidin-2-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-[[(2R)-6-oxopiperidin-2-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 154844458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).