1-[2,6-dichloro-4-(difluoromethyl)phenyl]-4-nitropyrazol-5-amine

C10H6Cl2F2N4O2 — CID 14424414

IUPAC1-[2,6-dichloro-4-(difluoromethyl)phenyl]-4-nitropyrazol-5-amine
SMILESNc1c([N+](=O)[O-])cnn1-c1c(Cl)cc(C(F)F)cc1Cl
InChIInChI=1S/C10H6Cl2F2N4O2/c11-5-1-4(9(13)14)2-6(12)8(5)17-10(15)7(3-16-17)18(19)20/h1-3,9H,15H2
InChIKeyNFQHNRCXTVGYIP-UHFFFAOYSA-N
MW323.09 g/mol
LogP3.61
Rot. Bonds3

About 1-[2,6-dichloro-4-(difluoromethyl)phenyl]-4-nitropyrazol-5-amine

1-[2,6-dichloro-4-(difluoromethyl)phenyl]-4-nitropyrazol-5-amine (PubChem CID 14424414) has the molecular formula C10H6Cl2F2N4O2 and a molecular weight of 323.09 g/mol. Its IUPAC name is 1-[2,6-dichloro-4-(difluoromethyl)phenyl]-4-nitropyrazol-5-amine.

Molecular Properties

Compound Name1-[2,6-dichloro-4-(difluoromethyl)phenyl]-4-nitropyrazol-5-amine
PubChem CID14424414
Molecular FormulaC10H6Cl2F2N4O2
Molecular Weight323.09 g/mol
Exact Mass321.98
IUPAC Name1-[2,6-dichloro-4-(difluoromethyl)phenyl]-4-nitropyrazol-5-amine
SMILESNc1c([N+](=O)[O-])cnn1-c1c(Cl)cc(C(F)F)cc1Cl
InChIInChI=1S/C10H6Cl2F2N4O2/c11-5-1-4(9(13)14)2-6(12)8(5)17-10(15)7(3-16-17)18(19)20/h1-3,9H,15H2
InChIKeyNFQHNRCXTVGYIP-UHFFFAOYSA-N
XLogP3.61
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.09
LogP ≤ 53.61
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

5-Amino-4-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole
CID 119322
1-(2-chlorophenyl)-N-methyl-4-nitro-1H-pyrazol-5-amine
CID 3420968
1-(2,4-dichlorophenyl)-N-methyl-4-nitro-1H-pyrazol-5-amine
CID 3450715
Nipyraclofen
CID 175845
1H-Pyrazole, 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-nitro-
CID 13689868
4-Nitro-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 81254783
1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-[(4-nitrophenyl)methyleneimino]-1H-pyrazole-3-carbonitrile
CID 139067487
N-methyl-4-nitro-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
CID 3652451
5-Amino-1-[2-chloro-4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
CID 13121997
5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-pyrazole
CID 13557109
N-[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-nitropyrazol-3-yl]propanamide
CID 13557116
N-[2-[2-chloro-4-(trifluoromethyl)phenyl]-4-nitropyrazol-3-yl]propanamide
CID 13557117

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-dichloro-4-(difluoromethyl)phenyl]-4-nitropyrazol-5-amine?
The IUPAC name of 1-[2,6-dichloro-4-(difluoromethyl)phenyl]-4-nitropyrazol-5-amine (CID 14424414) is 1-[2,6-dichloro-4-(difluoromethyl)phenyl]-4-nitropyrazol-5-amine.
What is the SMILES notation for 1-[2,6-dichloro-4-(difluoromethyl)phenyl]-4-nitropyrazol-5-amine?
The canonical SMILES for 1-[2,6-dichloro-4-(difluoromethyl)phenyl]-4-nitropyrazol-5-amine is Nc1c([N+](=O)[O-])cnn1-c1c(Cl)cc(C(F)F)cc1Cl.
What is the InChIKey of 1-[2,6-dichloro-4-(difluoromethyl)phenyl]-4-nitropyrazol-5-amine?
The InChIKey is NFQHNRCXTVGYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2F2N4O2/c11-5-1-4(9(13)14)2-6(12)8(5)17-10(15)7(3-16-17)18(19)20/h1-3,9H,15H2.
What are the key properties of 1-[2,6-dichloro-4-(difluoromethyl)phenyl]-4-nitropyrazol-5-amine?
1-[2,6-dichloro-4-(difluoromethyl)phenyl]-4-nitropyrazol-5-amine has a molecular weight of 323.09 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-dichloro-4-(difluoromethyl)phenyl]-4-nitropyrazol-5-amine is sourced from PubChem (CID 14424414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).