N-[(2,4-dichlorophenyl)methyl]-5-methoxy-N,1,3-trimethylpyrazole-4-carboxamide

C15H17Cl2N3O2 — CID 75370941

IUPACN-[(2,4-dichlorophenyl)methyl]-5-methoxy-N,1,3-trimethylpyrazole-4-carboxamide
SMILESCOc1c(C(=O)N(C)Cc2ccc(Cl)cc2Cl)c(C)nn1C
InChIInChI=1S/C15H17Cl2N3O2/c1-9-13(15(22-4)20(3)18-9)14(21)19(2)8-10-5-6-11(16)7-12(10)17/h5-7H,8H2,1-4H3
InChIKeyPYCHRTIYDUJROM-UHFFFAOYSA-N
MW342.23 g/mol
LogP3.32
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methyl]-5-methoxy-N,1,3-trimethylpyrazole-4-carboxamide

N-[(2,4-dichlorophenyl)methyl]-5-methoxy-N,1,3-trimethylpyrazole-4-carboxamide (PubChem CID 75370941) has the molecular formula C15H17Cl2N3O2 and a molecular weight of 342.23 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-5-methoxy-N,1,3-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-5-methoxy-N,1,3-trimethylpyrazole-4-carboxamide
PubChem CID75370941
Molecular FormulaC15H17Cl2N3O2
Molecular Weight342.23 g/mol
Exact Mass341.07
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-5-methoxy-N,1,3-trimethylpyrazole-4-carboxamide
SMILESCOc1c(C(=O)N(C)Cc2ccc(Cl)cc2Cl)c(C)nn1C
InChIInChI=1S/C15H17Cl2N3O2/c1-9-13(15(22-4)20(3)18-9)14(21)19(2)8-10-5-6-11(16)7-12(10)17/h5-7H,8H2,1-4H3
InChIKeyPYCHRTIYDUJROM-UHFFFAOYSA-N
XLogP3.32
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(2,4-dichlorophenyl)methyl]-5-methoxy-N,1,3-trimethylpyrazole-4-carboxamide 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

N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 19862165
bis[4-(2,4-dichlorobenzoyl)-1,3-dimethylpyrazol-5-yl] carbonate
CID 13002616
4-chloro-N-[(2,4-dichlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 81227711
[5-[(2,4-dichlorophenyl)methoxy]-1,3-dimethylpyrazol-4-yl]-(2,3,5-trimethyl-4-methylsulfonylphenyl)methanone
CID 54182814
4-bromo-N-[(2,4-dichlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 60698328
N-[(2,4-dichlorophenyl)methyl]-N,4-dimethyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172656647
3,5-diamino-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide
CID 61117248
6-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 9417730
[4-(2,4-dichlorobenzoyl)-1,3-dimethylpyrazol-5-yl] methanesulfonate
CID 12912181
N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9091215
[4-(2,4-dichlorobenzoyl)-1,3-dimethylpyrazol-5-yl] ethylsulfanylformate
CID 12912178
3-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
CID 61118651

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-5-methoxy-N,1,3-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-5-methoxy-N,1,3-trimethylpyrazole-4-carboxamide (CID 75370941) is N-[(2,4-dichlorophenyl)methyl]-5-methoxy-N,1,3-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-5-methoxy-N,1,3-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-5-methoxy-N,1,3-trimethylpyrazole-4-carboxamide is COc1c(C(=O)N(C)Cc2ccc(Cl)cc2Cl)c(C)nn1C.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-5-methoxy-N,1,3-trimethylpyrazole-4-carboxamide?
The InChIKey is PYCHRTIYDUJROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O2/c1-9-13(15(22-4)20(3)18-9)14(21)19(2)8-10-5-6-11(16)7-12(10)17/h5-7H,8H2,1-4H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-5-methoxy-N,1,3-trimethylpyrazole-4-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-5-methoxy-N,1,3-trimethylpyrazole-4-carboxamide has a molecular weight of 342.23 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-5-methoxy-N,1,3-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 75370941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).