N-[(2,5-difluorophenyl)methyl]-1-methyl-4-nitropyrazol-3-amine

C11H10F2N4O2 — CID 103079923

IUPACN-[(2,5-difluorophenyl)methyl]-1-methyl-4-nitropyrazol-3-amine
SMILESCn1cc([N+](=O)[O-])c(NCc2cc(F)ccc2F)n1
InChIInChI=1S/C11H10F2N4O2/c1-16-6-10(17(18)19)11(15-16)14-5-7-4-8(12)2-3-9(7)13/h2-4,6H,5H2,1H3,(H,14,15)
InChIKeyQKYMAZGMKSKOOS-UHFFFAOYSA-N
MW268.22 g/mol
LogP2.22
Rot. Bonds4

About N-[(2,5-difluorophenyl)methyl]-1-methyl-4-nitropyrazol-3-amine

N-[(2,5-difluorophenyl)methyl]-1-methyl-4-nitropyrazol-3-amine (PubChem CID 103079923) has the molecular formula C11H10F2N4O2 and a molecular weight of 268.22 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-1-methyl-4-nitropyrazol-3-amine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-1-methyl-4-nitropyrazol-3-amine
PubChem CID103079923
Molecular FormulaC11H10F2N4O2
Molecular Weight268.22 g/mol
Exact Mass268.08
IUPAC NameN-[(2,5-difluorophenyl)methyl]-1-methyl-4-nitropyrazol-3-amine
SMILESCn1cc([N+](=O)[O-])c(NCc2cc(F)ccc2F)n1
InChIInChI=1S/C11H10F2N4O2/c1-16-6-10(17(18)19)11(15-16)14-5-7-4-8(12)2-3-9(7)13/h2-4,6H,5H2,1H3,(H,14,15)
InChIKeyQKYMAZGMKSKOOS-UHFFFAOYSA-N
XLogP2.22
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 52.22
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

1-methyl-4-nitro-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-amine
CID 103079896
N-[(2,5-difluorophenyl)methyl]-5-methyl-4-nitropyridin-2-amine
CID 83267602
N-[(2,5-difluorophenyl)methyl]-1-(5-fluoro-2-nitrophenyl)methanamine
CID 63796050
N-[(2,5-difluorophenyl)methyl]-3-nitropyridin-4-amine
CID 10084201
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-4-nitropyrazol-3-amine
CID 103079898
N-[2-(2,4-dichlorophenyl)ethyl]-1-methyl-4-nitropyrazol-3-amine
CID 103079659
N-(1,3-benzodioxol-4-ylmethyl)-1-methyl-4-nitropyrazol-3-amine
CID 103079778
N-[(2,5-difluorophenyl)methyl]-5-fluoro-4-iodo-2-nitroaniline
CID 66101826
1-methyl-4-nitro-N-(1,2-oxazol-3-ylmethyl)pyrazol-3-amine
CID 103080032
3-amino-N-[(2,5-difluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 63795143
N-[(2,5-difluorophenyl)methyl]-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80907475
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-fluoro-4-nitroaniline
CID 83089738

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-methyl-4-nitropyrazol-3-amine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-methyl-4-nitropyrazol-3-amine (CID 103079923) is N-[(2,5-difluorophenyl)methyl]-1-methyl-4-nitropyrazol-3-amine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-1-methyl-4-nitropyrazol-3-amine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-1-methyl-4-nitropyrazol-3-amine is Cn1cc([N+](=O)[O-])c(NCc2cc(F)ccc2F)n1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-1-methyl-4-nitropyrazol-3-amine?
The InChIKey is QKYMAZGMKSKOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4O2/c1-16-6-10(17(18)19)11(15-16)14-5-7-4-8(12)2-3-9(7)13/h2-4,6H,5H2,1H3,(H,14,15).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-1-methyl-4-nitropyrazol-3-amine?
N-[(2,5-difluorophenyl)methyl]-1-methyl-4-nitropyrazol-3-amine has a molecular weight of 268.22 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-1-methyl-4-nitropyrazol-3-amine is sourced from PubChem (CID 103079923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).