N-(4-carbamoyl-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide

C25H21ClN4O4 — CID 55611029

IUPACN-(4-carbamoyl-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(C(N)=O)c(Cl)c2)c1
InChIInChI=1S/C25H21ClN4O4/c1-33-17-9-11-22(34-2)19(13-17)23-20(14-30(29-23)16-6-4-3-5-7-16)25(32)28-15-8-10-18(24(27)31)21(26)12-15/h3-14H,1-2H3,(H2,27,31)(H,28,32)
InChIKeyCABLCFBBTJONOP-UHFFFAOYSA-N
MW476.92 g/mol
LogP4.56
Rot. Bonds7

About N-(4-carbamoyl-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide

N-(4-carbamoyl-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 55611029) has the molecular formula C25H21ClN4O4 and a molecular weight of 476.92 g/mol. Its IUPAC name is N-(4-carbamoyl-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoyl-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID55611029
Molecular FormulaC25H21ClN4O4
Molecular Weight476.92 g/mol
Exact Mass476.13
IUPAC NameN-(4-carbamoyl-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(C(N)=O)c(Cl)c2)c1
InChIInChI=1S/C25H21ClN4O4/c1-33-17-9-11-22(34-2)19(13-17)23-20(14-30(29-23)16-6-4-3-5-7-16)25(32)28-15-8-10-18(24(27)31)21(26)12-15/h3-14H,1-2H3,(H2,27,31)(H,28,32)
InChIKeyCABLCFBBTJONOP-UHFFFAOYSA-N
XLogP4.56
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.92
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-acetamido-2-fluorophenyl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55551214
N-(3-acetylphenyl)-3-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 29206588
N-(1H-benzimidazol-2-yl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 27649329
3-(2,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1-phenylpyrazole-4-carboxamide
CID 29201760
N-(4-fluorophenyl)-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 8744666
3-(2-methoxyphenyl)-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 8760149
3-(2-methoxyphenyl)-1-phenyl-N-pyridin-4-ylpyrazole-4-carboxamide
CID 30157703
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 1217619
N-(4-acetamidophenyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 29195602
3-(2,5-dimethoxyphenyl)-N-[2-(2-methylphenoxy)ethyl]-1-phenylpyrazole-4-carboxamide
CID 52706502
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55674688
3-(2,5-dimethoxyphenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 86906413

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoyl-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(4-carbamoyl-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide (CID 55611029) is N-(4-carbamoyl-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-carbamoyl-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-carbamoyl-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide is COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(C(N)=O)c(Cl)c2)c1.
What is the InChIKey of N-(4-carbamoyl-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is CABLCFBBTJONOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O4/c1-33-17-9-11-22(34-2)19(13-17)23-20(14-30(29-23)16-6-4-3-5-7-16)25(32)28-15-8-10-18(24(27)31)21(26)12-15/h3-14H,1-2H3,(H2,27,31)(H,28,32).
What are the key properties of N-(4-carbamoyl-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide?
N-(4-carbamoyl-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 476.92 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoyl-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 55611029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).