methyl 2-[(4-chlorophenyl)carbamoyl]-4-methyl-5-phenyl-3H-pyrazole-4-carboxylate

C19H18ClN3O3 — CID 19852461

IUPACmethyl 2-[(4-chlorophenyl)carbamoyl]-4-methyl-5-phenyl-3H-pyrazole-4-carboxylate
SMILESCOC(=O)C1(C)CN(C(=O)Nc2ccc(Cl)cc2)N=C1c1ccccc1
InChIInChI=1S/C19H18ClN3O3/c1-19(17(24)26-2)12-23(22-16(19)13-6-4-3-5-7-13)18(25)21-15-10-8-14(20)9-11-15/h3-11H,12H2,1-2H3,(H,21,25)
InChIKeyXFDQOIHEIKXHSC-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.77
Rot. Bonds3

About methyl 2-[(4-chlorophenyl)carbamoyl]-4-methyl-5-phenyl-3H-pyrazole-4-carboxylate

methyl 2-[(4-chlorophenyl)carbamoyl]-4-methyl-5-phenyl-3H-pyrazole-4-carboxylate (PubChem CID 19852461) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is methyl 2-[(4-chlorophenyl)carbamoyl]-4-methyl-5-phenyl-3H-pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-chlorophenyl)carbamoyl]-4-methyl-5-phenyl-3H-pyrazole-4-carboxylate
PubChem CID19852461
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Namemethyl 2-[(4-chlorophenyl)carbamoyl]-4-methyl-5-phenyl-3H-pyrazole-4-carboxylate
SMILESCOC(=O)C1(C)CN(C(=O)Nc2ccc(Cl)cc2)N=C1c1ccccc1
InChIInChI=1S/C19H18ClN3O3/c1-19(17(24)26-2)12-23(22-16(19)13-6-4-3-5-7-13)18(25)21-15-10-8-14(20)9-11-15/h3-11H,12H2,1-2H3,(H,21,25)
InChIKeyXFDQOIHEIKXHSC-UHFFFAOYSA-N
XLogP3.77
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(4-bromophenyl)-2-[(4-chlorophenyl)carbamoyl]-4-methyl-3H-pyrazole-4-carboxylate
CID 19852243
4-benzoyl-N,5-bis(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide
CID 19852791
4-acetyl-N,5-bis(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide
CID 19852210
methyl 5-(4-chlorophenyl)-4-methyl-2-(trifluoromethylcarbamoyl)-3H-pyrazole-4-carboxylate
CID 23161688
methyl 5-(4-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl]-4-methyl-3H-pyrazole-4-carboxylate
CID 19852785
5-(4-chlorophenyl)-4-methyl-2-[[4-(trifluoromethyl)phenyl]carbamoyl]-3H-pyrazole-4-carboxylic acid
CID 18980917
5-(4-chlorophenyl)-4-methyl-N-(4-nitrophenyl)-4-phenyl-3H-pyrazole-2-carboxamide
CID 19852526
methyl 5-(4-bromophenyl)-4-methyl-2-[[4-(trifluoromethyl)phenyl]carbamoyl]-3H-pyrazole-4-carboxylate
CID 154247421
5-(4-chlorophenyl)-4-methyl-2-[[4-(trifluoromethyl)phenyl]carbamoyl]-3H-pyrazole-4-carbonyl chloride
CID 18980972
ethyl 2-[(3-bromophenyl)carbamoyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate
CID 19852826
methyl 2-[(4-bromophenyl)carbamoyl]-5-[3-chloro-4-(trifluoromethyl)phenyl]-4-methyl-3H-pyrazole-4-carboxylate
CID 19852709
4-benzyl-N-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide
CID 19852790

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-chlorophenyl)carbamoyl]-4-methyl-5-phenyl-3H-pyrazole-4-carboxylate?
The IUPAC name of methyl 2-[(4-chlorophenyl)carbamoyl]-4-methyl-5-phenyl-3H-pyrazole-4-carboxylate (CID 19852461) is methyl 2-[(4-chlorophenyl)carbamoyl]-4-methyl-5-phenyl-3H-pyrazole-4-carboxylate.
What is the SMILES notation for methyl 2-[(4-chlorophenyl)carbamoyl]-4-methyl-5-phenyl-3H-pyrazole-4-carboxylate?
The canonical SMILES for methyl 2-[(4-chlorophenyl)carbamoyl]-4-methyl-5-phenyl-3H-pyrazole-4-carboxylate is COC(=O)C1(C)CN(C(=O)Nc2ccc(Cl)cc2)N=C1c1ccccc1.
What is the InChIKey of methyl 2-[(4-chlorophenyl)carbamoyl]-4-methyl-5-phenyl-3H-pyrazole-4-carboxylate?
The InChIKey is XFDQOIHEIKXHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-19(17(24)26-2)12-23(22-16(19)13-6-4-3-5-7-13)18(25)21-15-10-8-14(20)9-11-15/h3-11H,12H2,1-2H3,(H,21,25).
What are the key properties of methyl 2-[(4-chlorophenyl)carbamoyl]-4-methyl-5-phenyl-3H-pyrazole-4-carboxylate?
methyl 2-[(4-chlorophenyl)carbamoyl]-4-methyl-5-phenyl-3H-pyrazole-4-carboxylate has a molecular weight of 371.82 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-chlorophenyl)carbamoyl]-4-methyl-5-phenyl-3H-pyrazole-4-carboxylate is sourced from PubChem (CID 19852461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).