1-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]-2-methylpropan-2-ol

C13H23N5O3 — CID 63938264

IUPAC1-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]-2-methylpropan-2-ol
SMILESCc1nn(C)c(N2CCN(CC(C)(C)O)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C13H23N5O3/c1-10-11(18(20)21)12(15(4)14-10)17-7-5-16(6-8-17)9-13(2,3)19/h19H,5-9H2,1-4H3
InChIKeyNWIKCRBDMNLLFU-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.53
Rot. Bonds4

About 1-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]-2-methylpropan-2-ol

1-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]-2-methylpropan-2-ol (PubChem CID 63938264) has the molecular formula C13H23N5O3 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]-2-methylpropan-2-ol
PubChem CID63938264
Molecular FormulaC13H23N5O3
Molecular Weight297.36 g/mol
Exact Mass297.18
IUPAC Name1-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]-2-methylpropan-2-ol
SMILESCc1nn(C)c(N2CCN(CC(C)(C)O)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C13H23N5O3/c1-10-11(18(20)21)12(15(4)14-10)17-7-5-16(6-8-17)9-13(2,3)19/h19H,5-9H2,1-4H3
InChIKeyNWIKCRBDMNLLFU-UHFFFAOYSA-N
XLogP0.53
TPSA87.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.53
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'}

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Related Compounds

1-(1,3-dimethyl-4-nitropyrazol-5-yl)azepane
CID 47213588
2-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455449
4-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-methylpiperazine-1-carboxamide
CID 71848680
1-[4-(6-amino-5-nitropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol
CID 80823756
1-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)-1,4-diazepan-1-yl]propan-1-one
CID 56574364
2-methyl-1-[4-(5-methyl-4-nitro-2-pyridinyl)piperazin-1-yl]propan-2-ol
CID 83260152
3-[[1-(1,3-dimethyl-4-nitropyrazol-5-yl)piperidin-4-yl]-methylamino]propan-1-ol
CID 133315434
(2R)-N-cyclopropyl-2-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]propanamide
CID 94139166
1-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]-4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazine
CID 55832822
1-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-methylpiperidine-4-carboxylic acid
CID 106742657
(2S)-4-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-methyl-1-methylsulfonylpiperazine
CID 136580781
1-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-(2-methylpyrrolidin-1-yl)piperidine
CID 133396201

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]-2-methylpropan-2-ol (CID 63938264) is 1-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]-2-methylpropan-2-ol is Cc1nn(C)c(N2CCN(CC(C)(C)O)CC2)c1[N+](=O)[O-].
What is the InChIKey of 1-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]-2-methylpropan-2-ol?
The InChIKey is NWIKCRBDMNLLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O3/c1-10-11(18(20)21)12(15(4)14-10)17-7-5-16(6-8-17)9-13(2,3)19/h19H,5-9H2,1-4H3.
What are the key properties of 1-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]-2-methylpropan-2-ol?
1-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]-2-methylpropan-2-ol has a molecular weight of 297.36 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 63938264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).