[phenyl(pyridin-4-yl)methyl] 1,5-dimethylpyrazole-4-carboxylate

C18H17N3O2 — CID 51097573

IUPAC[phenyl(pyridin-4-yl)methyl] 1,5-dimethylpyrazole-4-carboxylate
SMILESCc1c(C(=O)OC(c2ccccc2)c2ccncc2)cnn1C
InChIInChI=1S/C18H17N3O2/c1-13-16(12-20-21(13)2)18(22)23-17(14-6-4-3-5-7-14)15-8-10-19-11-9-15/h3-12,17H,1-2H3
InChIKeyUXUYAOFUWVPCJF-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.07
Rot. Bonds4

About [phenyl(pyridin-4-yl)methyl] 1,5-dimethylpyrazole-4-carboxylate

[phenyl(pyridin-4-yl)methyl] 1,5-dimethylpyrazole-4-carboxylate (PubChem CID 51097573) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is [phenyl(pyridin-4-yl)methyl] 1,5-dimethylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[phenyl(pyridin-4-yl)methyl] 1,5-dimethylpyrazole-4-carboxylate
PubChem CID51097573
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name[phenyl(pyridin-4-yl)methyl] 1,5-dimethylpyrazole-4-carboxylate
SMILESCc1c(C(=O)OC(c2ccccc2)c2ccncc2)cnn1C
InChIInChI=1S/C18H17N3O2/c1-13-16(12-20-21(13)2)18(22)23-17(14-6-4-3-5-7-14)15-8-10-19-11-9-15/h3-12,17H,1-2H3
InChIKeyUXUYAOFUWVPCJF-UHFFFAOYSA-N
XLogP3.07
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [phenyl(pyridin-4-yl)methyl] 1,5-dimethylpyrazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[phenyl(1,3-thiazol-2-yl)methyl] 1,5-dimethylpyrazole-4-carboxylate
CID 84594086
[phenyl(pyridin-4-yl)methyl] 5-methyl-1-(3-methylphenyl)pyrazole-4-carboxylate
CID 47079383
benzhydryl pyridine-4-carboxylate
CID 891439
[phenyl(pyridin-4-yl)methyl] 1H-indazole-7-carboxylate
CID 86863186
(2-methoxyphenyl) 1,5-dimethylpyrazole-4-carboxylate
CID 47137693
[phenyl(pyridin-4-yl)methyl] 3-(1-methylpyrazol-4-yl)propanoate
CID 86863170
[(Z)-[amino(phenyl)methylidene]amino] 1,5-dimethylpyrazole-4-carboxylate
CID 19289965
[1-(tert-butylamino)-1-oxopropan-2-yl] 1,5-dimethylpyrazole-4-carboxylate
CID 46693401
[(R)-(2-methylpyrazol-3-yl)-phenylmethyl] pyridine-3-carboxylate
CID 99858572
[(S)-(2-methylpyrazol-3-yl)-phenylmethyl] pyridine-3-carboxylate
CID 99858571
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 1,5-dimethylpyrazole-4-carboxylate
CID 135907225
[phenyl(pyridin-4-yl)methyl] thiophene-3-carboxylate
CID 86863212

Frequently Asked Questions

What is the IUPAC name of [phenyl(pyridin-4-yl)methyl] 1,5-dimethylpyrazole-4-carboxylate?
The IUPAC name of [phenyl(pyridin-4-yl)methyl] 1,5-dimethylpyrazole-4-carboxylate (CID 51097573) is [phenyl(pyridin-4-yl)methyl] 1,5-dimethylpyrazole-4-carboxylate.
What is the SMILES notation for [phenyl(pyridin-4-yl)methyl] 1,5-dimethylpyrazole-4-carboxylate?
The canonical SMILES for [phenyl(pyridin-4-yl)methyl] 1,5-dimethylpyrazole-4-carboxylate is Cc1c(C(=O)OC(c2ccccc2)c2ccncc2)cnn1C.
What is the InChIKey of [phenyl(pyridin-4-yl)methyl] 1,5-dimethylpyrazole-4-carboxylate?
The InChIKey is UXUYAOFUWVPCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-13-16(12-20-21(13)2)18(22)23-17(14-6-4-3-5-7-14)15-8-10-19-11-9-15/h3-12,17H,1-2H3.
What are the key properties of [phenyl(pyridin-4-yl)methyl] 1,5-dimethylpyrazole-4-carboxylate?
[phenyl(pyridin-4-yl)methyl] 1,5-dimethylpyrazole-4-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl(pyridin-4-yl)methyl] 1,5-dimethylpyrazole-4-carboxylate is sourced from PubChem (CID 51097573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).