4-methyl-1-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-2-ol

C10H18N4O3 — CID 107153465

IUPAC4-methyl-1-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-2-ol
SMILESCC(C)CC(O)CNc1nn(C)cc1[N+](=O)[O-]
InChIInChI=1S/C10H18N4O3/c1-7(2)4-8(15)5-11-10-9(14(16)17)6-13(3)12-10/h6-8,15H,4-5H2,1-3H3,(H,11,12)
InChIKeyHGKQRUHDVULTHH-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.15
Rot. Bonds6

About 4-methyl-1-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-2-ol

4-methyl-1-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-2-ol (PubChem CID 107153465) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-methyl-1-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name4-methyl-1-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-2-ol
PubChem CID107153465
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name4-methyl-1-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-2-ol
SMILESCC(C)CC(O)CNc1nn(C)cc1[N+](=O)[O-]
InChIInChI=1S/C10H18N4O3/c1-7(2)4-8(15)5-11-10-9(14(16)17)6-13(3)12-10/h6-8,15H,4-5H2,1-3H3,(H,11,12)
InChIKeyHGKQRUHDVULTHH-UHFFFAOYSA-N
XLogP1.15
TPSA93.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.15
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

5-methyl-3-[[(1-methyl-4-nitropyrazol-3-yl)amino]methyl]hexanoic acid
CID 103079354
1-methyl-N-(3-methylbutyl)-4-nitropyrazol-3-amine
CID 103079653
N-(2,2-dimethoxyethyl)-1-methyl-4-nitropyrazol-3-amine
CID 107390111
3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-(2-methylpropyl)propanamide
CID 103080082
2-[(1-methyl-4-nitropyrazol-3-yl)amino]acetamide
CID 103079637
3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-propan-2-ylpropanamide
CID 103080080
4-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentan-2-ol
CID 107159646
N-ethyl-N'-(1-methyl-4-nitropyrazol-3-yl)propane-1,3-diamine
CID 103080213
5-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-1-ol
CID 107318026
1-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-nitropyrazol-3-amine
CID 103080014
1-methyl-N-(3-methylbutan-2-yl)-4-nitropyrazol-3-amine
CID 103079678
1-methyl-N-(2-methylsulfanylethyl)-4-nitropyrazol-3-amine
CID 103079933

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-2-ol?
The IUPAC name of 4-methyl-1-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-2-ol (CID 107153465) is 4-methyl-1-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-2-ol.
What is the SMILES notation for 4-methyl-1-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-2-ol?
The canonical SMILES for 4-methyl-1-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-2-ol is CC(C)CC(O)CNc1nn(C)cc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-1-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-2-ol?
The InChIKey is HGKQRUHDVULTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-7(2)4-8(15)5-11-10-9(14(16)17)6-13(3)12-10/h6-8,15H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 4-methyl-1-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-2-ol?
4-methyl-1-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-2-ol has a molecular weight of 242.28 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-2-ol is sourced from PubChem (CID 107153465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).