3-ethyl-3-(hydroxymethyl)-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1-carboxamide

C19H26N4O2 — CID 146128739

IUPAC3-ethyl-3-(hydroxymethyl)-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1-carboxamide
SMILESCCC1(CO)CCCN(C(=O)Nc2ccnn2-c2ccccc2C)C1
InChIInChI=1S/C19H26N4O2/c1-3-19(14-24)10-6-12-22(13-19)18(25)21-17-9-11-20-23(17)16-8-5-4-7-15(16)2/h4-5,7-9,11,24H,3,6,10,12-14H2,1-2H3,(H,21,25)
InChIKeyXPOCJHAOROZVBD-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.20
Rot. Bonds4

About 3-ethyl-3-(hydroxymethyl)-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1-carboxamide

3-ethyl-3-(hydroxymethyl)-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1-carboxamide (PubChem CID 146128739) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-ethyl-3-(hydroxymethyl)-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-3-(hydroxymethyl)-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1-carboxamide
PubChem CID146128739
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-ethyl-3-(hydroxymethyl)-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1-carboxamide
SMILESCCC1(CO)CCCN(C(=O)Nc2ccnn2-c2ccccc2C)C1
InChIInChI=1S/C19H26N4O2/c1-3-19(14-24)10-6-12-22(13-19)18(25)21-17-9-11-20-23(17)16-8-5-4-7-15(16)2/h4-5,7-9,11,24H,3,6,10,12-14H2,1-2H3,(H,21,25)
InChIKeyXPOCJHAOROZVBD-UHFFFAOYSA-N
XLogP3.20
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(hydroxymethyl)-N-[2-(2-methylphenyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
CID 75442974
3-ethyl-3-(hydroxymethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 46993792
3-benzyl-N-(2,5-dimethylpyrazol-3-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 139004459
3-ethyl-3-(hydroxymethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 46982148
(3R)-3-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1,3-dicarboxamide
CID 96540089
2-ethoxy-N-[2-(2-methylphenyl)pyrazol-3-yl]propanamide
CID 56789802
(2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-methylsulfanylpropanamide
CID 96539727
3-ethyl-3-(hydroxymethyl)-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)piperidine-1-carboxamide
CID 136533677
4-[[3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028070
ethyl 4-[[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]carbamoyl]piperazine-1-carboxylate
CID 72841399
[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 70720563
N-[2-[[2-(2-methylphenyl)pyrazol-3-yl]carbamoylamino]ethyl]cyclopropanecarboxamide
CID 84598089

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(hydroxymethyl)-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1-carboxamide?
The IUPAC name of 3-ethyl-3-(hydroxymethyl)-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1-carboxamide (CID 146128739) is 3-ethyl-3-(hydroxymethyl)-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for 3-ethyl-3-(hydroxymethyl)-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1-carboxamide?
The canonical SMILES for 3-ethyl-3-(hydroxymethyl)-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1-carboxamide is CCC1(CO)CCCN(C(=O)Nc2ccnn2-c2ccccc2C)C1.
What is the InChIKey of 3-ethyl-3-(hydroxymethyl)-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1-carboxamide?
The InChIKey is XPOCJHAOROZVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-19(14-24)10-6-12-22(13-19)18(25)21-17-9-11-20-23(17)16-8-5-4-7-15(16)2/h4-5,7-9,11,24H,3,6,10,12-14H2,1-2H3,(H,21,25).
What are the key properties of 3-ethyl-3-(hydroxymethyl)-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1-carboxamide?
3-ethyl-3-(hydroxymethyl)-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(hydroxymethyl)-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 146128739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).