4-[(2,3-dichlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide

C12H10Cl2N4O2 — CID 19412367

IUPAC4-[(2,3-dichlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)c2cccc(Cl)c2Cl)c1C(N)=O
InChIInChI=1S/C12H10Cl2N4O2/c1-18-10(11(15)19)8(5-16-18)17-12(20)6-3-2-4-7(13)9(6)14/h2-5H,1H3,(H2,15,19)(H,17,20)
InChIKeyBNIDIIKJTFQFTO-UHFFFAOYSA-N
MW313.14 g/mol
LogP2.08
Rot. Bonds3

About 4-[(2,3-dichlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide

4-[(2,3-dichlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide (PubChem CID 19412367) has the molecular formula C12H10Cl2N4O2 and a molecular weight of 313.14 g/mol. Its IUPAC name is 4-[(2,3-dichlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2,3-dichlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
PubChem CID19412367
Molecular FormulaC12H10Cl2N4O2
Molecular Weight313.14 g/mol
Exact Mass312.02
IUPAC Name4-[(2,3-dichlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)c2cccc(Cl)c2Cl)c1C(N)=O
InChIInChI=1S/C12H10Cl2N4O2/c1-18-10(11(15)19)8(5-16-18)17-12(20)6-3-2-4-7(13)9(6)14/h2-5H,1H3,(H2,15,19)(H,17,20)
InChIKeyBNIDIIKJTFQFTO-UHFFFAOYSA-N
XLogP2.08
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[(2-methylbenzoyl)amino]pyrazole-5-carboxamide
CID 4865270
4-[(4-chlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 4862680
4-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496258
4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-1-methylpyrazole-5-carboxamide
CID 4771010
4-[(4-fluorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 4867279
2,3-dichloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]benzamide
CID 19322901
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2,3-dichlorobenzamide
CID 79523235
4-chloro-N-(2-hydroxyphenyl)-1-methylpyrazole-5-carboxamide
CID 19475778
4-[(5-bromofuran-2-carbonyl)amino]-1-methylpyrazole-5-carboxamide
CID 4768049
4-[[3-(difluoromethoxy)benzoyl]amino]-1-methylpyrazole-5-carboxamide
CID 19412265
3-[5-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19490170
1-methyl-4-[[5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxamide
CID 19412346

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dichlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-[(2,3-dichlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide (CID 19412367) is 4-[(2,3-dichlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2,3-dichlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-[(2,3-dichlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide is Cn1ncc(NC(=O)c2cccc(Cl)c2Cl)c1C(N)=O.
What is the InChIKey of 4-[(2,3-dichlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide?
The InChIKey is BNIDIIKJTFQFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4O2/c1-18-10(11(15)19)8(5-16-18)17-12(20)6-3-2-4-7(13)9(6)14/h2-5H,1H3,(H2,15,19)(H,17,20).
What are the key properties of 4-[(2,3-dichlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide?
4-[(2,3-dichlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide has a molecular weight of 313.14 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dichlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 19412367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).