ethyl 1-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylate

C20H25N3O3 — CID 36710484

IUPACethyl 1-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cnn(-c3cccc(C)c3)c2C)CC1
InChIInChI=1S/C20H25N3O3/c1-4-26-20(25)16-8-10-22(11-9-16)19(24)18-13-21-23(15(18)3)17-7-5-6-14(2)12-17/h5-7,12-13,16H,4,8-11H2,1-3H3
InChIKeyAWNSGFHOEFQZEG-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.90
Rot. Bonds4

About ethyl 1-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylate

ethyl 1-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylate (PubChem CID 36710484) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is ethyl 1-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylate
PubChem CID36710484
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Nameethyl 1-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cnn(-c3cccc(C)c3)c2C)CC1
InChIInChI=1S/C20H25N3O3/c1-4-26-20(25)16-8-10-22(11-9-16)19(24)18-13-21-23(15(18)3)17-7-5-6-14(2)12-17/h5-7,12-13,16H,4,8-11H2,1-3H3
InChIKeyAWNSGFHOEFQZEG-UHFFFAOYSA-N
XLogP2.90
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354409
[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-piperazin-1-ylmethanone
CID 82528763
ethyl 1-[2-(3-methylphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carbonyl]piperidine-4-carboxylate
CID 46005041
(5-methyl-1-phenylpyrazol-4-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90495061
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 34405473
ethyl 1-(2,4,5-trimethylbenzoyl)piperidine-4-carboxylate
CID 95970660
ethyl 5-methyl-1-[3-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]phenyl]pyrazole-4-carboxylate
CID 38606848
ethyl 1-(2-amino-3-chlorobenzoyl)piperidine-4-carboxylate
CID 115540184
ethyl 1-[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-3-carboxylate
CID 46139157
azepan-1-yl-[1-(3-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 20936773
ethyl 1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxylate
CID 35512692
(3-methoxypyrrolidin-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 108730568

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylate (CID 36710484) is ethyl 1-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cnn(-c3cccc(C)c3)c2C)CC1.
What is the InChIKey of ethyl 1-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylate?
The InChIKey is AWNSGFHOEFQZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-4-26-20(25)16-8-10-22(11-9-16)19(24)18-13-21-23(15(18)3)17-7-5-6-14(2)12-17/h5-7,12-13,16H,4,8-11H2,1-3H3.
What are the key properties of ethyl 1-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylate?
ethyl 1-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylate has a molecular weight of 355.44 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 36710484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).