N-(2,5-dichlorophenyl)-1,5-dimethylpyrazole-4-carboxamide

C12H11Cl2N3O — CID 110864104

IUPACN-(2,5-dichlorophenyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cc(Cl)ccc2Cl)cnn1C
InChIInChI=1S/C12H11Cl2N3O/c1-7-9(6-15-17(7)2)12(18)16-11-5-8(13)3-4-10(11)14/h3-6H,1-2H3,(H,16,18)
InChIKeyZYHKMQCBHWPFLI-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.29
Rot. Bonds2

About N-(2,5-dichlorophenyl)-1,5-dimethylpyrazole-4-carboxamide

N-(2,5-dichlorophenyl)-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 110864104) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-1,5-dimethylpyrazole-4-carboxamide
PubChem CID110864104
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC NameN-(2,5-dichlorophenyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cc(Cl)ccc2Cl)cnn1C
InChIInChI=1S/C12H11Cl2N3O/c1-7-9(6-15-17(7)2)12(18)16-11-5-8(13)3-4-10(11)14/h3-6H,1-2H3,(H,16,18)
InChIKeyZYHKMQCBHWPFLI-UHFFFAOYSA-N
XLogP3.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-4-chlorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28776782
N-(3-chloro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 63935503
2-(2,5-dichlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone
CID 105102608
2-chloro-4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 61398585
4-[(2,4-dichlorophenyl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496071
N-(2-bromo-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 82706059
N-(4-bromo-2-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28780531
N-[2-(chloromethyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide
CID 114298281
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methylbenzenesulfonyl chloride
CID 43098424
N-(3-amino-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28776839
3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4-hydroxybenzoic acid
CID 107264647
5-amino-N-(2-chloro-5-methoxyphenyl)-1-methylpyrazole-4-carboxamide
CID 115330655

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-1,5-dimethylpyrazole-4-carboxamide (CID 110864104) is N-(2,5-dichlorophenyl)-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)cnn1C.
What is the InChIKey of N-(2,5-dichlorophenyl)-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is ZYHKMQCBHWPFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c1-7-9(6-15-17(7)2)12(18)16-11-5-8(13)3-4-10(11)14/h3-6H,1-2H3,(H,16,18).
What are the key properties of N-(2,5-dichlorophenyl)-1,5-dimethylpyrazole-4-carboxamide?
N-(2,5-dichlorophenyl)-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 284.15 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 110864104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).