N-[2-[amino(formyl)amino]-4-chlorophenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide

C17H11Cl2F3N6O2 — CID 174556945

IUPACN-[2-[amino(formyl)amino]-4-chlorophenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESNN(C=O)c1cc(Cl)ccc1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl
InChIInChI=1S/C17H11Cl2F3N6O2/c18-9-3-4-11(12(6-9)27(23)8-29)25-16(30)13-7-14(17(20,21)22)26-28(13)15-10(19)2-1-5-24-15/h1-8H,23H2,(H,25,30)
InChIKeyCANLHRGCUYVGKY-UHFFFAOYSA-N
MW459.22 g/mol
LogP3.68
Rot. Bonds5

About N-[2-[amino(formyl)amino]-4-chlorophenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[2-[amino(formyl)amino]-4-chlorophenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 174556945) has the molecular formula C17H11Cl2F3N6O2 and a molecular weight of 459.22 g/mol. Its IUPAC name is N-[2-[amino(formyl)amino]-4-chlorophenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[amino(formyl)amino]-4-chlorophenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID174556945
Molecular FormulaC17H11Cl2F3N6O2
Molecular Weight459.22 g/mol
Exact Mass458.03
IUPAC NameN-[2-[amino(formyl)amino]-4-chlorophenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESNN(C=O)c1cc(Cl)ccc1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl
InChIInChI=1S/C17H11Cl2F3N6O2/c18-9-3-4-11(12(6-9)27(23)8-29)25-16(30)13-7-14(17(20,21)22)26-28(13)15-10(19)2-1-5-24-15/h1-8H,23H2,(H,25,30)
InChIKeyCANLHRGCUYVGKY-UHFFFAOYSA-N
XLogP3.68
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.22
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[amino(formyl)amino]-6-chlorophenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 175374719
1-(3-chloro-2-pyridinyl)-N-(2,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 87459787
[[4-chloro-2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]benzoyl]amino]-(dimethylamino)azanide;yttrium
CID 145498197
N-(6-chloro-4-methyl-3-pyridinyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 152573475
1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl chloride
CID 18446928
N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 90356835
5-chloro-2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-3-methylbenzoyl chloride
CID 118471380
3-bromo-N-(4-chloro-2-methylphenyl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 141285430
1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-[hydroxy(methylamino)methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 163641538
N-(4-chloro-2-methyl-6-methylsulfinylphenyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 139391840
N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 58899289
N-[1-bromo-3-(methylcarbamoyl)naphthalen-2-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 59514625

Frequently Asked Questions

What is the IUPAC name of N-[2-[amino(formyl)amino]-4-chlorophenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[2-[amino(formyl)amino]-4-chlorophenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 174556945) is N-[2-[amino(formyl)amino]-4-chlorophenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-[amino(formyl)amino]-4-chlorophenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[2-[amino(formyl)amino]-4-chlorophenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is NN(C=O)c1cc(Cl)ccc1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl.
What is the InChIKey of N-[2-[amino(formyl)amino]-4-chlorophenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is CANLHRGCUYVGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2F3N6O2/c18-9-3-4-11(12(6-9)27(23)8-29)25-16(30)13-7-14(17(20,21)22)26-28(13)15-10(19)2-1-5-24-15/h1-8H,23H2,(H,25,30).
What are the key properties of N-[2-[amino(formyl)amino]-4-chlorophenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[2-[amino(formyl)amino]-4-chlorophenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 459.22 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[amino(formyl)amino]-4-chlorophenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 174556945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).