1-(2-nitrophenyl)-5-(trifluoromethyl)pyrazol-4-amine

C10H7F3N4O2 — CID 66423943

IUPAC1-(2-nitrophenyl)-5-(trifluoromethyl)pyrazol-4-amine
SMILESNc1cnn(-c2ccccc2[N+](=O)[O-])c1C(F)(F)F
InChIInChI=1S/C10H7F3N4O2/c11-10(12,13)9-6(14)5-15-16(9)7-3-1-2-4-8(7)17(18)19/h1-5H,14H2
InChIKeyBKRVXSWYFNITEW-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.38
Rot. Bonds2

About 1-(2-nitrophenyl)-5-(trifluoromethyl)pyrazol-4-amine

1-(2-nitrophenyl)-5-(trifluoromethyl)pyrazol-4-amine (PubChem CID 66423943) has the molecular formula C10H7F3N4O2 and a molecular weight of 272.19 g/mol. Its IUPAC name is 1-(2-nitrophenyl)-5-(trifluoromethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-nitrophenyl)-5-(trifluoromethyl)pyrazol-4-amine
PubChem CID66423943
Molecular FormulaC10H7F3N4O2
Molecular Weight272.19 g/mol
Exact Mass272.05
IUPAC Name1-(2-nitrophenyl)-5-(trifluoromethyl)pyrazol-4-amine
SMILESNc1cnn(-c2ccccc2[N+](=O)[O-])c1C(F)(F)F
InChIInChI=1S/C10H7F3N4O2/c11-10(12,13)9-6(14)5-15-16(9)7-3-1-2-4-8(7)17(18)19/h1-5H,14H2
InChIKeyBKRVXSWYFNITEW-UHFFFAOYSA-N
XLogP2.38
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.38
H-Bond Donors ≤ 51
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-nitro-1-phenyl-1H-pyrazole
CID 2755894
1-(2,4-Dinitrophenyl)pyrazole
CID 101487
1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 2795595
1-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-amine
CID 60866835
N-[2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]-5-nitrophenyl]acetamide
CID 2795923
1-(4-Fluorophenyl)-3-[1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazol-4-yl]urea
CID 2808388
1-(4-Nitrophenyl)-3-(trifluoromethyl)-1H-pyrazole
CID 2809247
4-(Difluoromethyl)-1-(4-nitrophenyl)triazole
CID 16074347
Pyrazole, 3-methyl-1-(2,4-dinitro)phenyl-
CID 13173025
5-Methyl-1-(4-nitrophenyl)-1H-pyrazole
CID 21766274
(1-Phenyl-4-pyrazolyl)diazenecarbonitrile 2-oxide
CID 3063795
1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-amine hydrochloride
CID 71758596

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)-5-(trifluoromethyl)pyrazol-4-amine?
The IUPAC name of 1-(2-nitrophenyl)-5-(trifluoromethyl)pyrazol-4-amine (CID 66423943) is 1-(2-nitrophenyl)-5-(trifluoromethyl)pyrazol-4-amine.
What is the SMILES notation for 1-(2-nitrophenyl)-5-(trifluoromethyl)pyrazol-4-amine?
The canonical SMILES for 1-(2-nitrophenyl)-5-(trifluoromethyl)pyrazol-4-amine is Nc1cnn(-c2ccccc2[N+](=O)[O-])c1C(F)(F)F.
What is the InChIKey of 1-(2-nitrophenyl)-5-(trifluoromethyl)pyrazol-4-amine?
The InChIKey is BKRVXSWYFNITEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4O2/c11-10(12,13)9-6(14)5-15-16(9)7-3-1-2-4-8(7)17(18)19/h1-5H,14H2.
What are the key properties of 1-(2-nitrophenyl)-5-(trifluoromethyl)pyrazol-4-amine?
1-(2-nitrophenyl)-5-(trifluoromethyl)pyrazol-4-amine has a molecular weight of 272.19 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)-5-(trifluoromethyl)pyrazol-4-amine is sourced from PubChem (CID 66423943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).