5-(3,4-dichloroanilino)-1H-pyrazole-4-carboxamide

C10H8Cl2N4O — CID 123557222

IUPAC5-(3,4-dichloroanilino)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1cn[nH]c1Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H8Cl2N4O/c11-7-2-1-5(3-8(7)12)15-10-6(9(13)17)4-14-16-10/h1-4H,(H2,13,17)(H2,14,15,16)
InChIKeyVTVNGUUMHADCTE-UHFFFAOYSA-N
MW271.11 g/mol
LogP2.56
Rot. Bonds3

About 5-(3,4-dichloroanilino)-1H-pyrazole-4-carboxamide

5-(3,4-dichloroanilino)-1H-pyrazole-4-carboxamide (PubChem CID 123557222) has the molecular formula C10H8Cl2N4O and a molecular weight of 271.11 g/mol. Its IUPAC name is 5-(3,4-dichloroanilino)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(3,4-dichloroanilino)-1H-pyrazole-4-carboxamide
PubChem CID123557222
Molecular FormulaC10H8Cl2N4O
Molecular Weight271.11 g/mol
Exact Mass270.01
IUPAC Name5-(3,4-dichloroanilino)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1cn[nH]c1Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H8Cl2N4O/c11-7-2-1-5(3-8(7)12)15-10-6(9(13)17)4-14-16-10/h1-4H,(H2,13,17)(H2,14,15,16)
InChIKeyVTVNGUUMHADCTE-UHFFFAOYSA-N
XLogP2.56
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-fluoro-4-pyridinyl)amino]-1H-pyrazole-4-carboxamide
CID 89464494
5-[4-(trifluoromethylsulfonyl)anilino]-1H-pyrazole-4-carboxamide
CID 89473446
5-chloro-2-(3,4-dichloroanilino)benzamide
CID 141087561
5-[(8-chloroquinolin-2-yl)amino]-1H-pyrazole-4-carboxamide
CID 11694919
5-[(6-chloroquinolin-2-yl)amino]-1H-pyrazole-4-carboxamide
CID 11492993
4-N-(3,4-dichlorophenyl)-1H-pyrazole-4,5-diamine
CID 114991830
5-(4-carbamoyl-3-chloroanilino)-2-chlorobenzoic acid
CID 62945822
N-(3,4-dichlorophenyl)-1H-indazole-7-carboxamide
CID 43048604
3-(3,4-dichloroanilino)pyrazine-2-carboxamide
CID 122372729
4-(5-amino-2-chloroanilino)-2-chlorobenzamide
CID 62944720
1-(3,4-dichlorophenyl)-3-(1H-indazol-5-yl)urea
CID 4607305
N-(4-carbamoyl-3-chlorophenyl)-4-chloropyridine-3-carboxamide
CID 81226788

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichloroanilino)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(3,4-dichloroanilino)-1H-pyrazole-4-carboxamide (CID 123557222) is 5-(3,4-dichloroanilino)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(3,4-dichloroanilino)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(3,4-dichloroanilino)-1H-pyrazole-4-carboxamide is NC(=O)c1cn[nH]c1Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-(3,4-dichloroanilino)-1H-pyrazole-4-carboxamide?
The InChIKey is VTVNGUUMHADCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4O/c11-7-2-1-5(3-8(7)12)15-10-6(9(13)17)4-14-16-10/h1-4H,(H2,13,17)(H2,14,15,16).
What are the key properties of 5-(3,4-dichloroanilino)-1H-pyrazole-4-carboxamide?
5-(3,4-dichloroanilino)-1H-pyrazole-4-carboxamide has a molecular weight of 271.11 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichloroanilino)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 123557222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).