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

C11H10Cl2N4O2 — CID 104917216

IUPACN-(2,6-dichloro-4-nitrophenyl)-1-ethylpyrazol-4-amine
SMILESCCn1cc(Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cn1
InChIInChI=1S/C11H10Cl2N4O2/c1-2-16-6-7(5-14-16)15-11-9(12)3-8(17(18)19)4-10(11)13/h3-6,15H,2H2,1H3
InChIKeyUBLBDNBNLISMPJ-UHFFFAOYSA-N
MW301.13 g/mol
LogP3.86
Rot. Bonds4

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

N-(2,6-dichloro-4-nitrophenyl)-1-ethylpyrazol-4-amine (PubChem CID 104917216) 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-ethylpyrazol-4-amine.

Molecular Properties

Compound NameN-(2,6-dichloro-4-nitrophenyl)-1-ethylpyrazol-4-amine
PubChem CID104917216
Molecular FormulaC11H10Cl2N4O2
Molecular Weight301.13 g/mol
Exact Mass300.02
IUPAC NameN-(2,6-dichloro-4-nitrophenyl)-1-ethylpyrazol-4-amine
SMILESCCn1cc(Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cn1
InChIInChI=1S/C11H10Cl2N4O2/c1-2-16-6-7(5-14-16)15-11-9(12)3-8(17(18)19)4-10(11)13/h3-6,15H,2H2,1H3
InChIKeyUBLBDNBNLISMPJ-UHFFFAOYSA-N
XLogP3.86
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 53.86
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'}

Analyze N-(2,6-dichloro-4-nitrophenyl)-1-ethylpyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,6-difluoro-4-nitrophenyl)-1-ethylpyrazol-4-amine
CID 103828470
N-(2,6-dichloro-4-nitrophenyl)-1-pyrimidin-2-ylpyrazol-4-amine
CID 133454887
1-ethyl-N-(3-methoxy-4-nitrophenyl)pyrazol-4-amine
CID 63671776
3-chloro-N-(1-ethylpyrazol-4-yl)-4-nitrobenzamide
CID 82781184
2-[4-(2,6-difluoro-4-nitroanilino)pyrazol-1-yl]acetamide
CID 86780545
1-ethyl-N-[1-(4-nitrophenyl)ethyl]pyrazol-4-amine
CID 43543267
2,6-dichloro-N-[(1-methylpyrazol-4-yl)methyl]-4-nitroaniline
CID 103952611
2,6-dichloro-N-(3-chloro-4-fluorophenyl)-4-nitroaniline
CID 106891417
1-ethyl-N-(5-methylsulfonyl-3-nitrothiophen-2-yl)pyrazol-4-amine
CID 75502353
6-[(1-ethylpyrazol-4-yl)amino]-5-nitropyridine-3-carboxylic acid
CID 81438375
N-ethyl-3-(1-ethylpyrazol-4-yl)oxy-5-nitroaniline
CID 116805883
N-(2,6-dichloro-4-nitrophenyl)-1,3-dimethylpyrazol-4-amine
CID 104917704

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-nitrophenyl)-1-ethylpyrazol-4-amine?
The IUPAC name of N-(2,6-dichloro-4-nitrophenyl)-1-ethylpyrazol-4-amine (CID 104917216) is N-(2,6-dichloro-4-nitrophenyl)-1-ethylpyrazol-4-amine.
What is the SMILES notation for N-(2,6-dichloro-4-nitrophenyl)-1-ethylpyrazol-4-amine?
The canonical SMILES for N-(2,6-dichloro-4-nitrophenyl)-1-ethylpyrazol-4-amine is CCn1cc(Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cn1.
What is the InChIKey of N-(2,6-dichloro-4-nitrophenyl)-1-ethylpyrazol-4-amine?
The InChIKey is UBLBDNBNLISMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O2/c1-2-16-6-7(5-14-16)15-11-9(12)3-8(17(18)19)4-10(11)13/h3-6,15H,2H2,1H3.
What are the key properties of N-(2,6-dichloro-4-nitrophenyl)-1-ethylpyrazol-4-amine?
N-(2,6-dichloro-4-nitrophenyl)-1-ethylpyrazol-4-amine has a molecular weight of 301.13 g/mol, XLogP of 3.86, 4 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-ethylpyrazol-4-amine is sourced from PubChem (CID 104917216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).