2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-3-methylbutanamide

C10H17N5O3 — CID 106346089

IUPAC2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-3-methylbutanamide
SMILESCc1nn(C)c(NC(C(N)=O)C(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C10H17N5O3/c1-5(2)7(9(11)16)12-10-8(15(17)18)6(3)13-14(10)4/h5,7,12H,1-4H3,(H2,11,16)
InChIKeyZHMNQXDJFQOYDN-UHFFFAOYSA-N
MW255.28 g/mol
LogP0.56
Rot. Bonds5

About 2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-3-methylbutanamide

2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-3-methylbutanamide (PubChem CID 106346089) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-3-methylbutanamide
PubChem CID106346089
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-3-methylbutanamide
SMILESCc1nn(C)c(NC(C(N)=O)C(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C10H17N5O3/c1-5(2)7(9(11)16)12-10-8(15(17)18)6(3)13-14(10)4/h5,7,12H,1-4H3,(H2,11,16)
InChIKeyZHMNQXDJFQOYDN-UHFFFAOYSA-N
XLogP0.56
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 50.56
H-Bond Donors ≤ 52
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 2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-3-methylbutanamide 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-N'-(1,3-dimethyl-4-nitropyrazol-5-yl)ethane-1,1-diamine
CID 139771367
2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-N-methylpropanamide
CID 54950283
N-but-3-yn-2-yl-1,3-dimethyl-4-nitropyrazol-5-amine
CID 114382971
2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]-3-methylbutanoic acid
CID 66011790
(1,3-dimethyl-4-nitropyrazol-5-yl)hydrazine
CID 3537257
1-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-3-methylbutan-2-ol
CID 115644085
N-(1-methoxy-3-methylbutan-2-yl)-1,3-dimethyl-4-nitropyrazol-5-amine
CID 65047948
2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]ethyl carbamate
CID 83205028
N-heptan-2-yl-1,3-dimethyl-4-nitropyrazol-5-amine
CID 54950632
(2R)-N-[2-(diethylamino)ethyl]-2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]butanamide
CID 95772412
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3-dimethyl-4-nitropyrazol-5-amine
CID 78961641
2-[[2-(ethylamino)-6-methyl-5-nitropyrimidin-4-yl]amino]-3-methylbutanamide
CID 106347443

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-3-methylbutanamide?
The IUPAC name of 2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-3-methylbutanamide (CID 106346089) is 2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-3-methylbutanamide.
What is the SMILES notation for 2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-3-methylbutanamide?
The canonical SMILES for 2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-3-methylbutanamide is Cc1nn(C)c(NC(C(N)=O)C(C)C)c1[N+](=O)[O-].
What is the InChIKey of 2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-3-methylbutanamide?
The InChIKey is ZHMNQXDJFQOYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-5(2)7(9(11)16)12-10-8(15(17)18)6(3)13-14(10)4/h5,7,12H,1-4H3,(H2,11,16).
What are the key properties of 2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-3-methylbutanamide?
2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-3-methylbutanamide has a molecular weight of 255.28 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-3-methylbutanamide is sourced from PubChem (CID 106346089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).