[4-(phenylcarbamoyl)phenyl]methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate

C24H20N4O3 — CID 55629616

IUPAC[4-(phenylcarbamoyl)phenyl]methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
SMILESCc1c(C(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)cnn1-c1ccccn1
InChIInChI=1S/C24H20N4O3/c1-17-21(15-26-28(17)22-9-5-6-14-25-22)24(30)31-16-18-10-12-19(13-11-18)23(29)27-20-7-3-2-4-8-20/h2-15H,16H2,1H3,(H,27,29)
InChIKeyFDCOSYQWYLVAKR-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.19
Rot. Bonds6

About [4-(phenylcarbamoyl)phenyl]methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate

[4-(phenylcarbamoyl)phenyl]methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate (PubChem CID 55629616) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is [4-(phenylcarbamoyl)phenyl]methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[4-(phenylcarbamoyl)phenyl]methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
PubChem CID55629616
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Name[4-(phenylcarbamoyl)phenyl]methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
SMILESCc1c(C(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)cnn1-c1ccccn1
InChIInChI=1S/C24H20N4O3/c1-17-21(15-26-28(17)22-9-5-6-14-25-22)24(30)31-16-18-10-12-19(13-11-18)23(29)27-20-7-3-2-4-8-20/h2-15H,16H2,1H3,(H,27,29)
InChIKeyFDCOSYQWYLVAKR-UHFFFAOYSA-N
XLogP4.19
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55641393
ethyl 5-methyl-1-[4-[[4-(phenylcarbamoylamino)phenyl]carbamoyl]phenyl]pyrazole-4-carboxylate
CID 55683117
N-(3-ethylphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944134
[2-(4-chloroanilino)-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55641337
5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
4-[[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid
CID 108793390
[4-(phenylcarbamoyl)phenyl]methyl 5-methylpyrazine-2-carboxylate
CID 8634406
5-methyl-1-pyridin-2-yl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 15944140
methyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 15944141
[4-(phenylcarbamoyl)phenyl]methyl 2-methylsulfonylbenzoate
CID 7724467
(4-aminoquinazolin-2-yl)methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55641210
5-methyl-1-pyridin-2-yl-N-(4-sulfamoylphenyl)pyrazole-4-carboxamide
CID 24825177

Frequently Asked Questions

What is the IUPAC name of [4-(phenylcarbamoyl)phenyl]methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate?
The IUPAC name of [4-(phenylcarbamoyl)phenyl]methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate (CID 55629616) is [4-(phenylcarbamoyl)phenyl]methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate.
What is the SMILES notation for [4-(phenylcarbamoyl)phenyl]methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate?
The canonical SMILES for [4-(phenylcarbamoyl)phenyl]methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate is Cc1c(C(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)cnn1-c1ccccn1.
What is the InChIKey of [4-(phenylcarbamoyl)phenyl]methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate?
The InChIKey is FDCOSYQWYLVAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-17-21(15-26-28(17)22-9-5-6-14-25-22)24(30)31-16-18-10-12-19(13-11-18)23(29)27-20-7-3-2-4-8-20/h2-15H,16H2,1H3,(H,27,29).
What are the key properties of [4-(phenylcarbamoyl)phenyl]methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate?
[4-(phenylcarbamoyl)phenyl]methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate has a molecular weight of 412.45 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(phenylcarbamoyl)phenyl]methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 55629616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).