1,3-dimethyl-N-(3-nitro-5-propan-2-yloxyphenyl)pyrazol-4-amine

C14H18N4O3 — CID 102805986

IUPAC1,3-dimethyl-N-(3-nitro-5-propan-2-yloxyphenyl)pyrazol-4-amine
SMILESCc1nn(C)cc1Nc1cc(OC(C)C)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H18N4O3/c1-9(2)21-13-6-11(5-12(7-13)18(19)20)15-14-8-17(4)16-10(14)3/h5-9,15H,1-4H3
InChIKeyBDCZGTXELVYRRB-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.17
Rot. Bonds5

About 1,3-dimethyl-N-(3-nitro-5-propan-2-yloxyphenyl)pyrazol-4-amine

1,3-dimethyl-N-(3-nitro-5-propan-2-yloxyphenyl)pyrazol-4-amine (PubChem CID 102805986) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1,3-dimethyl-N-(3-nitro-5-propan-2-yloxyphenyl)pyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-(3-nitro-5-propan-2-yloxyphenyl)pyrazol-4-amine
PubChem CID102805986
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name1,3-dimethyl-N-(3-nitro-5-propan-2-yloxyphenyl)pyrazol-4-amine
SMILESCc1nn(C)cc1Nc1cc(OC(C)C)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H18N4O3/c1-9(2)21-13-6-11(5-12(7-13)18(19)20)15-14-8-17(4)16-10(14)3/h5-9,15H,1-4H3
InChIKeyBDCZGTXELVYRRB-UHFFFAOYSA-N
XLogP3.17
TPSA82.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1,3-dimethyl-N-(3-nitro-5-propan-2-yloxyphenyl)pyrazol-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-dichloro-4-nitrophenyl)-1,3-dimethylpyrazol-4-amine
CID 104917704
2,5-dimethyl-N-(3-nitro-5-propan-2-yloxyphenyl)pyrrol-1-amine
CID 80732162
4-N-(3-nitro-5-propan-2-yloxyphenyl)benzene-1,4-diamine
CID 80743530
N-ethyl-3-nitro-5-propan-2-yloxyaniline
CID 80721910
N-(1,3-dimethylpyrazol-4-yl)-3-methyl-5-nitropyridin-2-amine
CID 103894571
N,2-dimethyl-N'-(3-nitro-5-propan-2-yloxyphenyl)propane-1,3-diamine
CID 115303118
N-(4-methylpentan-2-yl)-3-nitro-5-propan-2-yloxyaniline
CID 80724491
N-butyl-3-nitro-5-propan-2-yloxyaniline
CID 80722685
N-(1-methoxypropan-2-yl)-3-nitro-5-propan-2-yloxyaniline
CID 80722068
N-(2,2-dimethylbutyl)-3-nitro-5-propan-2-yloxyaniline
CID 103462392
N',N'-dimethyl-N-(3-nitro-5-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 80721618
2-(3-nitro-5-propan-2-yloxyanilino)acetamide
CID 80722203

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(3-nitro-5-propan-2-yloxyphenyl)pyrazol-4-amine?
The IUPAC name of 1,3-dimethyl-N-(3-nitro-5-propan-2-yloxyphenyl)pyrazol-4-amine (CID 102805986) is 1,3-dimethyl-N-(3-nitro-5-propan-2-yloxyphenyl)pyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-(3-nitro-5-propan-2-yloxyphenyl)pyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-N-(3-nitro-5-propan-2-yloxyphenyl)pyrazol-4-amine is Cc1nn(C)cc1Nc1cc(OC(C)C)cc([N+](=O)[O-])c1.
What is the InChIKey of 1,3-dimethyl-N-(3-nitro-5-propan-2-yloxyphenyl)pyrazol-4-amine?
The InChIKey is BDCZGTXELVYRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-9(2)21-13-6-11(5-12(7-13)18(19)20)15-14-8-17(4)16-10(14)3/h5-9,15H,1-4H3.
What are the key properties of 1,3-dimethyl-N-(3-nitro-5-propan-2-yloxyphenyl)pyrazol-4-amine?
1,3-dimethyl-N-(3-nitro-5-propan-2-yloxyphenyl)pyrazol-4-amine has a molecular weight of 290.32 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(3-nitro-5-propan-2-yloxyphenyl)pyrazol-4-amine is sourced from PubChem (CID 102805986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).