methyl 4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methylcarbamoyl]benzoate

C19H18N4O3 — CID 121022509

IUPACmethyl 4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methylcarbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)NCc2ccc(-c3cnn(C)c3)nc2)cc1
InChIInChI=1S/C19H18N4O3/c1-23-12-16(11-22-23)17-8-3-13(9-20-17)10-21-18(24)14-4-6-15(7-5-14)19(25)26-2/h3-9,11-12H,10H2,1-2H3,(H,21,24)
InChIKeyDNGRPUOTVWQTNW-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.20
Rot. Bonds5

About methyl 4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methylcarbamoyl]benzoate

methyl 4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methylcarbamoyl]benzoate (PubChem CID 121022509) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is methyl 4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methylcarbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methylcarbamoyl]benzoate
PubChem CID121022509
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Namemethyl 4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methylcarbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)NCc2ccc(-c3cnn(C)c3)nc2)cc1
InChIInChI=1S/C19H18N4O3/c1-23-12-16(11-22-23)17-8-3-13(9-20-17)10-21-18(24)14-4-6-15(7-5-14)19(25)26-2/h3-9,11-12H,10H2,1-2H3,(H,21,24)
InChIKeyDNGRPUOTVWQTNW-UHFFFAOYSA-N
XLogP2.20
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methylcarbamoyl]benzoate with MolForge

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Related Compounds

N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-4-propylbenzamide
CID 119105294
N-benzyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 3916665
2-ethyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butanamide
CID 122274470
1,1-dimethyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
CID 122274541
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-methylsulfanylbenzamide
CID 121022535
2-fluoro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122274311
3-cyano-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 119105290
4-methoxy-1-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-oxopyridine-3-carboxamide
CID 122274506
2-(4-fluorophenoxy)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 122274335
2-(4-chlorophenoxy)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 122274351
2-cyclopentyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 122274308
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2-phenoxypropanamide
CID 122274332

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methylcarbamoyl]benzoate?
The IUPAC name of methyl 4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methylcarbamoyl]benzoate (CID 121022509) is methyl 4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methylcarbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methylcarbamoyl]benzoate?
The canonical SMILES for methyl 4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methylcarbamoyl]benzoate is COC(=O)c1ccc(C(=O)NCc2ccc(-c3cnn(C)c3)nc2)cc1.
What is the InChIKey of methyl 4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methylcarbamoyl]benzoate?
The InChIKey is DNGRPUOTVWQTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-23-12-16(11-22-23)17-8-3-13(9-20-17)10-21-18(24)14-4-6-15(7-5-14)19(25)26-2/h3-9,11-12H,10H2,1-2H3,(H,21,24).
What are the key properties of methyl 4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methylcarbamoyl]benzoate?
methyl 4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methylcarbamoyl]benzoate has a molecular weight of 350.38 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methylcarbamoyl]benzoate is sourced from PubChem (CID 121022509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).