4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide

C13H13Cl2N3O3 — CID 2164180

IUPAC4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2c(Cl)cnn2C)c(OC)cc1Cl
InChIInChI=1S/C13H13Cl2N3O3/c1-18-12(8(15)6-16-18)13(19)17-9-5-10(20-2)7(14)4-11(9)21-3/h4-6H,1-3H3,(H,17,19)
InChIKeyCSUMWQGUFDRUAR-UHFFFAOYSA-N
MW330.17 g/mol
LogP3.00
Rot. Bonds4

About 4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide

4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 2164180) has the molecular formula C13H13Cl2N3O3 and a molecular weight of 330.17 g/mol. Its IUPAC name is 4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
PubChem CID2164180
Molecular FormulaC13H13Cl2N3O3
Molecular Weight330.17 g/mol
Exact Mass329.03
IUPAC Name4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2c(Cl)cnn2C)c(OC)cc1Cl
InChIInChI=1S/C13H13Cl2N3O3/c1-18-12(8(15)6-16-18)13(19)17-9-5-10(20-2)7(14)4-11(9)21-3/h4-6H,1-3H3,(H,17,19)
InChIKeyCSUMWQGUFDRUAR-UHFFFAOYSA-N
XLogP3.00
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-5-carboxamide
CID 6465441
4-chloro-N-(2-hydroxyphenyl)-1-methylpyrazole-5-carboxamide
CID 19475778
4-chloro-N,1-dimethylpyrazole-5-carboxamide
CID 17144538
6-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyrazine-2-carboxamide
CID 103336862
N-(4-chloro-2,5-dimethoxyphenyl)-1,3-oxazole-5-carboxamide
CID 96596464
4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 65355061
4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 3404956
N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 87044058
N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918553
N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18149046
4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-1-methylpyrazole-5-carboxamide
CID 4771010
4-chloro-N-(2-hydroxy-4-nitrophenyl)-1-methylpyrazole-5-carboxamide
CID 19476028

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide (CID 2164180) is 4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide is COc1cc(NC(=O)c2c(Cl)cnn2C)c(OC)cc1Cl.
What is the InChIKey of 4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is CSUMWQGUFDRUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O3/c1-18-12(8(15)6-16-18)13(19)17-9-5-10(20-2)7(14)4-11(9)21-3/h4-6H,1-3H3,(H,17,19).
What are the key properties of 4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide?
4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 330.17 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 2164180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).