1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-N-methylpiperidine-2-carboxamide

C13H22N4O2 — CID 54989738

IUPAC1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1c(CO)c(C)nn1C
InChIInChI=1S/C13H22N4O2/c1-9-10(8-18)13(16(3)15-9)17-7-5-4-6-11(17)12(19)14-2/h11,18H,4-8H2,1-3H3,(H,14,19)
InChIKeyDVLANHYMBQKDQF-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.33
Rot. Bonds3

About 1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-N-methylpiperidine-2-carboxamide

1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-N-methylpiperidine-2-carboxamide (PubChem CID 54989738) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-N-methylpiperidine-2-carboxamide
PubChem CID54989738
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1c(CO)c(C)nn1C
InChIInChI=1S/C13H22N4O2/c1-9-10(8-18)13(16(3)15-9)17-7-5-4-6-11(17)12(19)14-2/h11,18H,4-8H2,1-3H3,(H,14,19)
InChIKeyDVLANHYMBQKDQF-UHFFFAOYSA-N
XLogP0.33
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-N-methylpiperidine-2-carboxamide (CID 54989738) is 1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1c1c(CO)c(C)nn1C.
What is the InChIKey of 1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-N-methylpiperidine-2-carboxamide?
The InChIKey is DVLANHYMBQKDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9-10(8-18)13(16(3)15-9)17-7-5-4-6-11(17)12(19)14-2/h11,18H,4-8H2,1-3H3,(H,14,19).
What are the key properties of 1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-N-methylpiperidine-2-carboxamide?
1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-N-methylpiperidine-2-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 54989738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).