N-(2,6-dichloro-4-nitrophenyl)-1,3-dimethylpyrazol-4-amine

C11H10Cl2N4O2 — CID 104917704

IUPACN-(2,6-dichloro-4-nitrophenyl)-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)cc1Nc1c(Cl)cc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H10Cl2N4O2/c1-6-10(5-16(2)15-6)14-11-8(12)3-7(17(18)19)4-9(11)13/h3-5,14H,1-2H3
InChIKeyGCVZZQMBVXMURS-UHFFFAOYSA-N
MW301.13 g/mol
LogP3.69
Rot. Bonds3

About N-(2,6-dichloro-4-nitrophenyl)-1,3-dimethylpyrazol-4-amine

N-(2,6-dichloro-4-nitrophenyl)-1,3-dimethylpyrazol-4-amine (PubChem CID 104917704) has the molecular formula C11H10Cl2N4O2 and a molecular weight of 301.13 g/mol. Its IUPAC name is N-(2,6-dichloro-4-nitrophenyl)-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-(2,6-dichloro-4-nitrophenyl)-1,3-dimethylpyrazol-4-amine
PubChem CID104917704
Molecular FormulaC11H10Cl2N4O2
Molecular Weight301.13 g/mol
Exact Mass300.02
IUPAC NameN-(2,6-dichloro-4-nitrophenyl)-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)cc1Nc1c(Cl)cc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H10Cl2N4O2/c1-6-10(5-16(2)15-6)14-11-8(12)3-7(17(18)19)4-9(11)13/h3-5,14H,1-2H3
InChIKeyGCVZZQMBVXMURS-UHFFFAOYSA-N
XLogP3.69
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 53.69
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

N-(1,3-dimethylpyrazol-4-yl)-3-methyl-5-nitropyridin-2-amine
CID 103894571
1,3-dimethyl-N-(3-nitro-5-propan-2-yloxyphenyl)pyrazol-4-amine
CID 102805986
2-chloro-N-(1,3-dimethylpyrazol-4-yl)-5-nitropyrimidin-4-amine
CID 114043451
3-[(1,3-dimethylpyrazol-4-yl)amino]-4-nitrobenzonitrile
CID 104858232
N-(4-bromo-5-fluoro-2-nitrophenyl)-1,3-dimethylpyrazol-4-amine
CID 102806102
2,6-dichloro-N-[(1-methylpyrazol-4-yl)methyl]-4-nitroaniline
CID 103952611
2-chloro-4-N-(1,3-dimethylpyrazol-4-yl)-5-methylbenzene-1,4-diamine
CID 102803593
N-(2,6-dichloro-4-nitrophenyl)-1-ethylpyrazol-4-amine
CID 104917216
2-amino-N-(1,3-dimethylpyrazol-4-yl)-5-nitrobenzenesulfonamide
CID 102807196
6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-4-nitropyridin-2-amine
CID 114070886
2,6-dichloro-4-nitro-N-propan-2-ylaniline
CID 13358260
2-chloro-4-[(1,3-dimethylpyrazol-4-yl)amino]benzoic acid
CID 102807400

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-nitrophenyl)-1,3-dimethylpyrazol-4-amine?
The IUPAC name of N-(2,6-dichloro-4-nitrophenyl)-1,3-dimethylpyrazol-4-amine (CID 104917704) is N-(2,6-dichloro-4-nitrophenyl)-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for N-(2,6-dichloro-4-nitrophenyl)-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for N-(2,6-dichloro-4-nitrophenyl)-1,3-dimethylpyrazol-4-amine is Cc1nn(C)cc1Nc1c(Cl)cc([N+](=O)[O-])cc1Cl.
What is the InChIKey of N-(2,6-dichloro-4-nitrophenyl)-1,3-dimethylpyrazol-4-amine?
The InChIKey is GCVZZQMBVXMURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O2/c1-6-10(5-16(2)15-6)14-11-8(12)3-7(17(18)19)4-9(11)13/h3-5,14H,1-2H3.
What are the key properties of N-(2,6-dichloro-4-nitrophenyl)-1,3-dimethylpyrazol-4-amine?
N-(2,6-dichloro-4-nitrophenyl)-1,3-dimethylpyrazol-4-amine has a molecular weight of 301.13 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-nitrophenyl)-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 104917704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).