N-(3-ethyl-1-methylpyrazol-5-yl)-3-hydroxypiperidine-1-carboxamide

C12H20N4O2 — CID 111422829

IUPACN-(3-ethyl-1-methylpyrazol-5-yl)-3-hydroxypiperidine-1-carboxamide
SMILESCCc1cc(NC(=O)N2CCCC(O)C2)n(C)n1
InChIInChI=1S/C12H20N4O2/c1-3-9-7-11(15(2)14-9)13-12(18)16-6-4-5-10(17)8-16/h7,10,17H,3-6,8H2,1-2H3,(H,13,18)
InChIKeyDMKWDKWCURSZFZ-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.97
Rot. Bonds2

About N-(3-ethyl-1-methylpyrazol-5-yl)-3-hydroxypiperidine-1-carboxamide

N-(3-ethyl-1-methylpyrazol-5-yl)-3-hydroxypiperidine-1-carboxamide (PubChem CID 111422829) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-(3-ethyl-1-methylpyrazol-5-yl)-3-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-1-methylpyrazol-5-yl)-3-hydroxypiperidine-1-carboxamide
PubChem CID111422829
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-(3-ethyl-1-methylpyrazol-5-yl)-3-hydroxypiperidine-1-carboxamide
SMILESCCc1cc(NC(=O)N2CCCC(O)C2)n(C)n1
InChIInChI=1S/C12H20N4O2/c1-3-9-7-11(15(2)14-9)13-12(18)16-6-4-5-10(17)8-16/h7,10,17H,3-6,8H2,1-2H3,(H,13,18)
InChIKeyDMKWDKWCURSZFZ-UHFFFAOYSA-N
XLogP0.97
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-ethyl-1-methylpyrazol-5-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102415
N-(3-ethylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032364
N-(2-ethyl-6-methylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47192750
5-methyl-1-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122102727
(3S)-3-hydroxy-N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 95046033
(3R)-1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 81119737
N-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 139001901
(3R)-N-(1-methyl-3-propylpyrazol-5-yl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 99634463
N-(4-bromo-2,6-dimethylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47223501
(3R)-N-(3,4-dichlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 40973267
(3-ethyl-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
CID 66120347
3-hydroxy-N-[3-(methoxymethyl)phenyl]piperidine-1-carboxamide
CID 51080395

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1-methylpyrazol-5-yl)-3-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-(3-ethyl-1-methylpyrazol-5-yl)-3-hydroxypiperidine-1-carboxamide (CID 111422829) is N-(3-ethyl-1-methylpyrazol-5-yl)-3-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-(3-ethyl-1-methylpyrazol-5-yl)-3-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-(3-ethyl-1-methylpyrazol-5-yl)-3-hydroxypiperidine-1-carboxamide is CCc1cc(NC(=O)N2CCCC(O)C2)n(C)n1.
What is the InChIKey of N-(3-ethyl-1-methylpyrazol-5-yl)-3-hydroxypiperidine-1-carboxamide?
The InChIKey is DMKWDKWCURSZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-3-9-7-11(15(2)14-9)13-12(18)16-6-4-5-10(17)8-16/h7,10,17H,3-6,8H2,1-2H3,(H,13,18).
What are the key properties of N-(3-ethyl-1-methylpyrazol-5-yl)-3-hydroxypiperidine-1-carboxamide?
N-(3-ethyl-1-methylpyrazol-5-yl)-3-hydroxypiperidine-1-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1-methylpyrazol-5-yl)-3-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 111422829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).