4-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-methylpiperazine-1-carboxamide

C11H18N6O3 — CID 71848680

IUPAC4-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-methylpiperazine-1-carboxamide
SMILESCNC(=O)N1CCN(c2c([N+](=O)[O-])c(C)nn2C)CC1
InChIInChI=1S/C11H18N6O3/c1-8-9(17(19)20)10(14(3)13-8)15-4-6-16(7-5-15)11(18)12-2/h4-7H2,1-3H3,(H,12,18)
InChIKeyHGSBVMDDMSXAQJ-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.10
Rot. Bonds2

About 4-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-methylpiperazine-1-carboxamide

4-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-methylpiperazine-1-carboxamide (PubChem CID 71848680) has the molecular formula C11H18N6O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-methylpiperazine-1-carboxamide
PubChem CID71848680
Molecular FormulaC11H18N6O3
Molecular Weight282.30 g/mol
Exact Mass282.14
IUPAC Name4-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-methylpiperazine-1-carboxamide
SMILESCNC(=O)N1CCN(c2c([N+](=O)[O-])c(C)nn2C)CC1
InChIInChI=1S/C11H18N6O3/c1-8-9(17(19)20)10(14(3)13-8)15-4-6-16(7-5-15)11(18)12-2/h4-7H2,1-3H3,(H,12,18)
InChIKeyHGSBVMDDMSXAQJ-UHFFFAOYSA-N
XLogP0.10
TPSA96.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.10
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'}

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Related Compounds

1-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)-1,4-diazepan-1-yl]propan-1-one
CID 56574364
1-(1,3-dimethyl-4-nitropyrazol-5-yl)azepane
CID 47213588
1-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]-2-methylpropan-2-ol
CID 63938264
(2R)-N-cyclopropyl-2-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]propanamide
CID 94139166
2-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455449
1-(1,3-dimethyl-4-nitropyrazol-5-yl)-5-methylpiperidine-3-carboxylic acid
CID 122107001
1-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356281
3-[[1-(1,3-dimethyl-4-nitropyrazol-5-yl)piperidin-4-yl]-methylamino]propan-1-ol
CID 133315434
(2S)-4-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-methyl-1-methylsulfonylpiperazine
CID 136580781
1-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-methylpiperidine-4-carboxylic acid
CID 106742657
1-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-(2-methylpyrrolidin-1-yl)piperidine
CID 133396201
N-[[1-(1,3-dimethyl-4-nitropyrazol-5-yl)piperidin-3-yl]methyl]propan-2-amine
CID 63241635

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-methylpiperazine-1-carboxamide?
The IUPAC name of 4-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-methylpiperazine-1-carboxamide (CID 71848680) is 4-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-methylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-methylpiperazine-1-carboxamide?
The canonical SMILES for 4-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-methylpiperazine-1-carboxamide is CNC(=O)N1CCN(c2c([N+](=O)[O-])c(C)nn2C)CC1.
What is the InChIKey of 4-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-methylpiperazine-1-carboxamide?
The InChIKey is HGSBVMDDMSXAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O3/c1-8-9(17(19)20)10(14(3)13-8)15-4-6-16(7-5-15)11(18)12-2/h4-7H2,1-3H3,(H,12,18).
What are the key properties of 4-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-methylpiperazine-1-carboxamide?
4-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-methylpiperazine-1-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-methylpiperazine-1-carboxamide is sourced from PubChem (CID 71848680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).