4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide

C13H14Cl2N4O — CID 131932799

IUPAC4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)c1c(Cl)cnn1C
InChIInChI=1S/C13H14Cl2N4O/c1-18(2)11-5-4-8(14)6-10(11)17-13(20)12-9(15)7-16-19(12)3/h4-7H,1-3H3,(H,17,20)
InChIKeyGMIOGMMTIMGKKI-UHFFFAOYSA-N
MW313.19 g/mol
LogP3.05
Rot. Bonds3

About 4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide

4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide (PubChem CID 131932799) has the molecular formula C13H14Cl2N4O and a molecular weight of 313.19 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide
PubChem CID131932799
Molecular FormulaC13H14Cl2N4O
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)c1c(Cl)cnn1C
InChIInChI=1S/C13H14Cl2N4O/c1-18(2)11-5-4-8(14)6-10(11)17-13(20)12-9(15)7-16-19(12)3/h4-7H,1-3H3,(H,17,20)
InChIKeyGMIOGMMTIMGKKI-UHFFFAOYSA-N
XLogP3.05
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 19475778
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CID 17144538
4-amino-N-(5-chloro-2-methylphenyl)-1-methylpyrazole-5-carboxamide
CID 65356207
4-[(4-chlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 4862680
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N-[5-chloro-2-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 60630528
4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 2164180
4-chloro-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-5-carboxamide
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N-[5-chloro-2-(dimethylamino)phenyl]-4-pyrazol-1-ylbenzamide
CID 55369232
1-[5-chloro-2-(dimethylamino)phenyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 56793753
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CID 110864104

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide (CID 131932799) is 4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide is CN(C)c1ccc(Cl)cc1NC(=O)c1c(Cl)cnn1C.
What is the InChIKey of 4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is GMIOGMMTIMGKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O/c1-18(2)11-5-4-8(14)6-10(11)17-13(20)12-9(15)7-16-19(12)3/h4-7H,1-3H3,(H,17,20).
What are the key properties of 4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide?
4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 313.19 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 131932799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).