N-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]-2-methylpyrazole-3-carboxamide

C16H12Cl3N5O — CID 25155169

IUPACN-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc(-c2cc(Cl)cc(Cl)c2Cl)c(N)n1
InChIInChI=1S/C16H12Cl3N5O/c1-24-12(4-5-21-24)16(25)23-13-3-2-9(15(20)22-13)10-6-8(17)7-11(18)14(10)19/h2-7H,1H3,(H3,20,22,23,25)
InChIKeyNWOPKJOQHVOYHU-UHFFFAOYSA-N
MW396.67 g/mol
LogP4.28
Rot. Bonds3

About N-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]-2-methylpyrazole-3-carboxamide

N-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]-2-methylpyrazole-3-carboxamide (PubChem CID 25155169) has the molecular formula C16H12Cl3N5O and a molecular weight of 396.67 g/mol. Its IUPAC name is N-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]-2-methylpyrazole-3-carboxamide
PubChem CID25155169
Molecular FormulaC16H12Cl3N5O
Molecular Weight396.67 g/mol
Exact Mass395.01
IUPAC NameN-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc(-c2cc(Cl)cc(Cl)c2Cl)c(N)n1
InChIInChI=1S/C16H12Cl3N5O/c1-24-12(4-5-21-24)16(25)23-13-3-2-9(15(20)22-13)10-6-8(17)7-11(18)14(10)19/h2-7H,1H3,(H3,20,22,23,25)
InChIKeyNWOPKJOQHVOYHU-UHFFFAOYSA-N
XLogP4.28
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.67
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]-2-methylpyrazole-3-carboxamide (CID 25155169) is N-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1ccc(-c2cc(Cl)cc(Cl)c2Cl)c(N)n1.
What is the InChIKey of N-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is NWOPKJOQHVOYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3N5O/c1-24-12(4-5-21-24)16(25)23-13-3-2-9(15(20)22-13)10-6-8(17)7-11(18)14(10)19/h2-7H,1H3,(H3,20,22,23,25).
What are the key properties of N-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]-2-methylpyrazole-3-carboxamide?
N-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 396.67 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 25155169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).