3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-propan-2-ylpropanamide

C10H17N5O3 — CID 103080080

IUPAC3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNc1nn(C)cc1[N+](=O)[O-]
InChIInChI=1S/C10H17N5O3/c1-7(2)12-9(16)4-5-11-10-8(15(17)18)6-14(3)13-10/h6-7H,4-5H2,1-3H3,(H,11,13)(H,12,16)
InChIKeyUDWKYKWFNKPSAS-UHFFFAOYSA-N
MW255.28 g/mol
LogP0.65
Rot. Bonds6

About 3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-propan-2-ylpropanamide

3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-propan-2-ylpropanamide (PubChem CID 103080080) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-propan-2-ylpropanamide
PubChem CID103080080
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNc1nn(C)cc1[N+](=O)[O-]
InChIInChI=1S/C10H17N5O3/c1-7(2)12-9(16)4-5-11-10-8(15(17)18)6-14(3)13-10/h6-7H,4-5H2,1-3H3,(H,11,13)(H,12,16)
InChIKeyUDWKYKWFNKPSAS-UHFFFAOYSA-N
XLogP0.65
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 50.65
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'}

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Related Compounds

3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-(2-methylpropyl)propanamide
CID 103080082
1-methyl-N-(3-methylbutyl)-4-nitropyrazol-3-amine
CID 103079653
3-[(1-methyl-4-nitropyrazol-3-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 103080085
4-[(1-methyl-4-nitropyrazol-3-yl)amino]butanamide
CID 103079719
3-[(1-methyl-4-nitropyrazol-3-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 103080086
5-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-1-ol
CID 107318026
1-methyl-N-(2-methylsulfanylethyl)-4-nitropyrazol-3-amine
CID 103079933
2-[(1-methyl-4-nitropyrazol-3-yl)amino]acetamide
CID 103079637
5-methyl-3-[[(1-methyl-4-nitropyrazol-3-yl)amino]methyl]hexanoic acid
CID 103079354
4-methyl-1-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-2-ol
CID 107153465
2-[2-[(1-methyl-4-nitropyrazol-3-yl)amino]ethoxy]acetamide
CID 106239305
1-methyl-4-nitro-N-propan-2-ylpyrazole-3-carboxamide
CID 19263922

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-propan-2-ylpropanamide (CID 103080080) is 3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNc1nn(C)cc1[N+](=O)[O-].
What is the InChIKey of 3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-propan-2-ylpropanamide?
The InChIKey is UDWKYKWFNKPSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-7(2)12-9(16)4-5-11-10-8(15(17)18)6-14(3)13-10/h6-7H,4-5H2,1-3H3,(H,11,13)(H,12,16).
What are the key properties of 3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-propan-2-ylpropanamide?
3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-propan-2-ylpropanamide has a molecular weight of 255.28 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 103080080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).