4-amino-5-methyl-N-(2,4,5-trichlorophenyl)-1H-pyrazole-3-carboxamide

C11H9Cl3N4O — CID 62081034

IUPAC4-amino-5-methyl-N-(2,4,5-trichlorophenyl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1N
InChIInChI=1S/C11H9Cl3N4O/c1-4-9(15)10(18-17-4)11(19)16-8-3-6(13)5(12)2-7(8)14/h2-3H,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyHCXOKJPIERKYMZ-UHFFFAOYSA-N
MW319.58 g/mol
LogP3.51
Rot. Bonds2

About 4-amino-5-methyl-N-(2,4,5-trichlorophenyl)-1H-pyrazole-3-carboxamide

4-amino-5-methyl-N-(2,4,5-trichlorophenyl)-1H-pyrazole-3-carboxamide (PubChem CID 62081034) has the molecular formula C11H9Cl3N4O and a molecular weight of 319.58 g/mol. Its IUPAC name is 4-amino-5-methyl-N-(2,4,5-trichlorophenyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-(2,4,5-trichlorophenyl)-1H-pyrazole-3-carboxamide
PubChem CID62081034
Molecular FormulaC11H9Cl3N4O
Molecular Weight319.58 g/mol
Exact Mass317.98
IUPAC Name4-amino-5-methyl-N-(2,4,5-trichlorophenyl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1N
InChIInChI=1S/C11H9Cl3N4O/c1-4-9(15)10(18-17-4)11(19)16-8-3-6(13)5(12)2-7(8)14/h2-3H,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyHCXOKJPIERKYMZ-UHFFFAOYSA-N
XLogP3.51
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.58
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(4-bromo-2,5-difluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 107608683
4-amino-5-methyl-N-naphthalen-1-yl-1H-pyrazole-3-carboxamide
CID 62082084
4-amino-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide
CID 62081566
4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 55033895
4-amino-N-(3,5-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62082085
4-amino-5-methyl-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 62083149
4-amino-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-3-carboxamide
CID 115563988
4-amino-N-(5-bromo-2-cyanophenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 107796934
4-amino-N-(4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62083175
4-amino-5-methyl-N-(4-methyl-2-pyridinyl)-1H-pyrazole-3-carboxamide
CID 62082089
4-amino-N-(2,4,5-trichlorophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 55103950
4-amino-N-(2-chloro-4-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 62077618

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-(2,4,5-trichlorophenyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-(2,4,5-trichlorophenyl)-1H-pyrazole-3-carboxamide (CID 62081034) is 4-amino-5-methyl-N-(2,4,5-trichlorophenyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-(2,4,5-trichlorophenyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-(2,4,5-trichlorophenyl)-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1N.
What is the InChIKey of 4-amino-5-methyl-N-(2,4,5-trichlorophenyl)-1H-pyrazole-3-carboxamide?
The InChIKey is HCXOKJPIERKYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl3N4O/c1-4-9(15)10(18-17-4)11(19)16-8-3-6(13)5(12)2-7(8)14/h2-3H,15H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 4-amino-5-methyl-N-(2,4,5-trichlorophenyl)-1H-pyrazole-3-carboxamide?
4-amino-5-methyl-N-(2,4,5-trichlorophenyl)-1H-pyrazole-3-carboxamide has a molecular weight of 319.58 g/mol, XLogP of 3.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-(2,4,5-trichlorophenyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62081034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).