1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitro-3-propan-2-ylpyrazol-5-amine

C13H19N5O3 — CID 106388861

IUPAC1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitro-3-propan-2-ylpyrazol-5-amine
SMILESCc1cnc(C(C)Nc2c([N+](=O)[O-])c(C(C)C)nn2C)o1
InChIInChI=1S/C13H19N5O3/c1-7(2)10-11(18(19)20)12(17(5)16-10)15-9(4)13-14-6-8(3)21-13/h6-7,9,15H,1-5H3
InChIKeyCXBTTZVOFUXSGZ-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.92
Rot. Bonds5

About 1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitro-3-propan-2-ylpyrazol-5-amine

1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitro-3-propan-2-ylpyrazol-5-amine (PubChem CID 106388861) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitro-3-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitro-3-propan-2-ylpyrazol-5-amine
PubChem CID106388861
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitro-3-propan-2-ylpyrazol-5-amine
SMILESCc1cnc(C(C)Nc2c([N+](=O)[O-])c(C(C)C)nn2C)o1
InChIInChI=1S/C13H19N5O3/c1-7(2)10-11(18(19)20)12(17(5)16-10)15-9(4)13-14-6-8(3)21-13/h6-7,9,15H,1-5H3
InChIKeyCXBTTZVOFUXSGZ-UHFFFAOYSA-N
XLogP2.92
TPSA99.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitro-3-propan-2-ylpyrazol-5-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

1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitro-3-propan-2-ylpyrazol-5-amine
CID 106373800
5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitropyridin-2-amine
CID 106388838
N-butan-2-yl-1-methyl-4-nitro-3-propan-2-ylpyrazol-5-amine
CID 66019141
6-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-nitropyrimidin-4-amine
CID 114182515
1,3-dimethyl-5-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrazole-4-carbothioamide
CID 106388568
1-methyl-5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-propylpyrazole-4,5-diamine
CID 106387614
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-nitropyridin-3-amine
CID 103946656
5-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitroaniline
CID 106388804
4-methoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-nitroaniline
CID 103946648
3-[(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106158864
1-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-nitro-3-propan-2-ylpyrazol-5-amine
CID 66019173
2-(difluoromethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitroaniline
CID 106388836

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitro-3-propan-2-ylpyrazol-5-amine?
The IUPAC name of 1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitro-3-propan-2-ylpyrazol-5-amine (CID 106388861) is 1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitro-3-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for 1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitro-3-propan-2-ylpyrazol-5-amine?
The canonical SMILES for 1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitro-3-propan-2-ylpyrazol-5-amine is Cc1cnc(C(C)Nc2c([N+](=O)[O-])c(C(C)C)nn2C)o1.
What is the InChIKey of 1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitro-3-propan-2-ylpyrazol-5-amine?
The InChIKey is CXBTTZVOFUXSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-7(2)10-11(18(19)20)12(17(5)16-10)15-9(4)13-14-6-8(3)21-13/h6-7,9,15H,1-5H3.
What are the key properties of 1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitro-3-propan-2-ylpyrazol-5-amine?
1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitro-3-propan-2-ylpyrazol-5-amine has a molecular weight of 293.33 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitro-3-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 106388861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).