5-chloro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-dimethylpyrazole-4-carboxamide

C16H19ClN4O3 — CID 1482921

IUPAC5-chloro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)CNC(=O)c2c(C)nn(C)c2Cl)cc1
InChIInChI=1S/C16H19ClN4O3/c1-10-14(15(17)21(2)20-10)16(23)19-9-13(22)18-8-11-4-6-12(24-3)7-5-11/h4-7H,8-9H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyBPASIUQQUNZOQU-UHFFFAOYSA-N
MW350.81 g/mol
LogP1.44
Rot. Bonds6

About 5-chloro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-dimethylpyrazole-4-carboxamide

5-chloro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 1482921) has the molecular formula C16H19ClN4O3 and a molecular weight of 350.81 g/mol. Its IUPAC name is 5-chloro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID1482921
Molecular FormulaC16H19ClN4O3
Molecular Weight350.81 g/mol
Exact Mass350.11
IUPAC Name5-chloro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)CNC(=O)c2c(C)nn(C)c2Cl)cc1
InChIInChI=1S/C16H19ClN4O3/c1-10-14(15(17)21(2)20-10)16(23)19-9-13(22)18-8-11-4-6-12(24-3)7-5-11/h4-7H,8-9H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyBPASIUQQUNZOQU-UHFFFAOYSA-N
XLogP1.44
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-dimethylpyrazole-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

Tolfenpyrad
CID 10110536
4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 162670337
4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-1-methylpyrazole-5-carboxamide
CID 162673561
5-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 4293116
5-chloro-N-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 17558506
5-(2-chloro-4-methoxyphenyl)-1-methyl-N-[(3S)-1-methylpiperidin-3-yl]pyrazole-3-carboxamide
CID 168510549
1-benzyl-5-chloro-N-(2-methoxy-5-methylphenyl)-3-methylpyrazole-4-carboxamide
CID 2090618
1-benzyl-5-chloro-3-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 2118839
1-benzyl-5-chloro-N-(4-ethoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 2489518
4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 15008455
2-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 15943482
2-[2-(4-Chlorophenyl)-3,7-dimethyl-4-oxo-2H,4H,5H-pyrazolo[3,4-D]pyridazin-5-YL]-N-[(2-methoxyphenyl)methyl]acetamide
CID 16030132

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-dimethylpyrazole-4-carboxamide (CID 1482921) is 5-chloro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-dimethylpyrazole-4-carboxamide is COc1ccc(CNC(=O)CNC(=O)c2c(C)nn(C)c2Cl)cc1.
What is the InChIKey of 5-chloro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is BPASIUQQUNZOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O3/c1-10-14(15(17)21(2)20-10)16(23)19-9-13(22)18-8-11-4-6-12(24-3)7-5-11/h4-7H,8-9H2,1-3H3,(H,18,22)(H,19,23).
What are the key properties of 5-chloro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-dimethylpyrazole-4-carboxamide?
5-chloro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 350.81 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 1482921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).