5-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indazole-3-carbohydrazide

C16H12F3N5O3 — CID 78869090

IUPAC5-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indazole-3-carbohydrazide
SMILESCc1ccc2[nH]nc(C(=O)NNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2c1
InChIInChI=1S/C16H12F3N5O3/c1-8-2-4-11-10(6-8)14(22-20-11)15(25)23-21-12-5-3-9(16(17,18)19)7-13(12)24(26)27/h2-7,21H,1H3,(H,20,22)(H,23,25)
InChIKeyVNCMAXPSAPGNPZ-UHFFFAOYSA-N
MW379.30 g/mol
LogP3.56
Rot. Bonds4

About 5-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indazole-3-carbohydrazide

5-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indazole-3-carbohydrazide (PubChem CID 78869090) has the molecular formula C16H12F3N5O3 and a molecular weight of 379.30 g/mol. Its IUPAC name is 5-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indazole-3-carbohydrazide.

Molecular Properties

Compound Name5-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indazole-3-carbohydrazide
PubChem CID78869090
Molecular FormulaC16H12F3N5O3
Molecular Weight379.30 g/mol
Exact Mass379.09
IUPAC Name5-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indazole-3-carbohydrazide
SMILESCc1ccc2[nH]nc(C(=O)NNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2c1
InChIInChI=1S/C16H12F3N5O3/c1-8-2-4-11-10(6-8)14(22-20-11)15(25)23-21-12-5-3-9(16(17,18)19)7-13(12)24(26)27/h2-7,21H,1H3,(H,20,22)(H,23,25)
InChIKeyVNCMAXPSAPGNPZ-UHFFFAOYSA-N
XLogP3.56
TPSA112.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4,6-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indole-2-carbohydrazide
CID 29409991
2,5-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide
CID 29409438
5-fluoro-2-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29410018
3-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide
CID 29409132
2-nitro-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29409066
N'-[2-nitro-4-(trifluoromethyl)phenyl]-4-propan-2-ylbenzohydrazide
CID 29409169
5-methyl-N-[2-(2-nitroanilino)ethyl]-1H-indazole-3-carboxamide
CID 78868152
4-ethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiadiazole-5-carbohydrazide
CID 30580944
3-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1-benzofuran-2-carbohydrazide
CID 29408654
2-(furan-2-yl)-5-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide
CID 30830165
N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide
CID 29409858
3,4-dimethoxy-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29409295

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indazole-3-carbohydrazide?
The IUPAC name of 5-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indazole-3-carbohydrazide (CID 78869090) is 5-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indazole-3-carbohydrazide.
What is the SMILES notation for 5-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indazole-3-carbohydrazide?
The canonical SMILES for 5-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indazole-3-carbohydrazide is Cc1ccc2[nH]nc(C(=O)NNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2c1.
What is the InChIKey of 5-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indazole-3-carbohydrazide?
The InChIKey is VNCMAXPSAPGNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O3/c1-8-2-4-11-10(6-8)14(22-20-11)15(25)23-21-12-5-3-9(16(17,18)19)7-13(12)24(26)27/h2-7,21H,1H3,(H,20,22)(H,23,25).
What are the key properties of 5-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indazole-3-carbohydrazide?
5-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indazole-3-carbohydrazide has a molecular weight of 379.30 g/mol, XLogP of 3.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indazole-3-carbohydrazide is sourced from PubChem (CID 78869090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).