4-(2,6-dichloroanilino)-N-ethyl-1H-pyrazole-5-carboxamide

C12H12Cl2N4O — CID 166167644

IUPAC4-(2,6-dichloroanilino)-N-ethyl-1H-pyrazole-5-carboxamide
SMILESCCNC(=O)c1[nH]ncc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C12H12Cl2N4O/c1-2-15-12(19)11-9(6-16-18-11)17-10-7(13)4-3-5-8(10)14/h3-6,17H,2H2,1H3,(H,15,19)(H,16,18)
InChIKeyBRAROXRFQGJKKF-UHFFFAOYSA-N
MW299.16 g/mol
LogP3.21
Rot. Bonds4

About 4-(2,6-dichloroanilino)-N-ethyl-1H-pyrazole-5-carboxamide

4-(2,6-dichloroanilino)-N-ethyl-1H-pyrazole-5-carboxamide (PubChem CID 166167644) has the molecular formula C12H12Cl2N4O and a molecular weight of 299.16 g/mol. Its IUPAC name is 4-(2,6-dichloroanilino)-N-ethyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(2,6-dichloroanilino)-N-ethyl-1H-pyrazole-5-carboxamide
PubChem CID166167644
Molecular FormulaC12H12Cl2N4O
Molecular Weight299.16 g/mol
Exact Mass298.04
IUPAC Name4-(2,6-dichloroanilino)-N-ethyl-1H-pyrazole-5-carboxamide
SMILESCCNC(=O)c1[nH]ncc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C12H12Cl2N4O/c1-2-15-12(19)11-9(6-16-18-11)17-10-7(13)4-3-5-8(10)14/h3-6,17H,2H2,1H3,(H,15,19)(H,16,18)
InChIKeyBRAROXRFQGJKKF-UHFFFAOYSA-N
XLogP3.21
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,6-dichloroanilino)-N-methyl-1H-pyrazole-5-carboxamide
CID 166167706
4-(2,6-dichloroanilino)-N-[1-[2-[(4-methylcyclodeca-1,3,5,7,9-pentaen-1-yl)iodanuidylamino]-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 166167657
2-chloro-N-ethyl-6-[ethyl(dimethyl)silyl]benzamide
CID 18630286
4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 63107427
2,3-dichloro-N-ethylbenzamide;methane
CID 158305709
4-amino-N-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 63107036
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrate
CID 68653725
4-[(2,6-dimethoxybenzoyl)amino]-N-pentyl-1H-pyrazole-5-carboxamide
CID 118714297
methyl 2-[(4-chloro-1H-pyrazole-5-carbonyl)amino]acetate
CID 19479358
N-[5-(cyanomethylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide
CID 86631239
4-[(2,6-difluorobenzoyl)amino]-N-(2-propylpentyl)-1H-pyrazole-5-carboxamide
CID 70304735
ethyl 2-amino-3-(2,6-dichloroanilino)benzoate
CID 115546399

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichloroanilino)-N-ethyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-(2,6-dichloroanilino)-N-ethyl-1H-pyrazole-5-carboxamide (CID 166167644) is 4-(2,6-dichloroanilino)-N-ethyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-(2,6-dichloroanilino)-N-ethyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-(2,6-dichloroanilino)-N-ethyl-1H-pyrazole-5-carboxamide is CCNC(=O)c1[nH]ncc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of 4-(2,6-dichloroanilino)-N-ethyl-1H-pyrazole-5-carboxamide?
The InChIKey is BRAROXRFQGJKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O/c1-2-15-12(19)11-9(6-16-18-11)17-10-7(13)4-3-5-8(10)14/h3-6,17H,2H2,1H3,(H,15,19)(H,16,18).
What are the key properties of 4-(2,6-dichloroanilino)-N-ethyl-1H-pyrazole-5-carboxamide?
4-(2,6-dichloroanilino)-N-ethyl-1H-pyrazole-5-carboxamide has a molecular weight of 299.16 g/mol, XLogP of 3.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichloroanilino)-N-ethyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 166167644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).