1-amino-3-(3,5-diethyl-4-nitropyrazol-1-yl)propan-2-ol

C10H18N4O3 — CID 82702198

IUPAC1-amino-3-(3,5-diethyl-4-nitropyrazol-1-yl)propan-2-ol
SMILESCCc1nn(CC(O)CN)c(CC)c1[N+](=O)[O-]
InChIInChI=1S/C10H18N4O3/c1-3-8-10(14(16)17)9(4-2)13(12-8)6-7(15)5-11/h7,15H,3-6,11H2,1-2H3
InChIKeyWEQVOMZSROAHKD-UHFFFAOYSA-N
MW242.28 g/mol
LogP0.24
Rot. Bonds6

About 1-amino-3-(3,5-diethyl-4-nitropyrazol-1-yl)propan-2-ol

1-amino-3-(3,5-diethyl-4-nitropyrazol-1-yl)propan-2-ol (PubChem CID 82702198) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-amino-3-(3,5-diethyl-4-nitropyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(3,5-diethyl-4-nitropyrazol-1-yl)propan-2-ol
PubChem CID82702198
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name1-amino-3-(3,5-diethyl-4-nitropyrazol-1-yl)propan-2-ol
SMILESCCc1nn(CC(O)CN)c(CC)c1[N+](=O)[O-]
InChIInChI=1S/C10H18N4O3/c1-3-8-10(14(16)17)9(4-2)13(12-8)6-7(15)5-11/h7,15H,3-6,11H2,1-2H3
InChIKeyWEQVOMZSROAHKD-UHFFFAOYSA-N
XLogP0.24
TPSA107.21 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 ≤ 50.24
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

1-(3,5-diethyl-4-nitropyrazol-1-yl)-3-methylbutan-2-one
CID 82702460
3-(3,5-diethyl-4-nitropyrazol-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 82702155
1-cyclopropyl-2-(3,5-diethyl-4-nitropyrazol-1-yl)ethanone
CID 82702620
6-(3,5-diethyl-4-nitropyrazol-1-yl)hexane-1-thiol
CID 82702085
2-(3,5-diethyl-4-nitropyrazol-1-yl)butanamide
CID 82702635
3-(3,5-diethyl-4-nitropyrazol-1-yl)-N-propan-2-ylpropan-1-amine
CID 82702935
4-(3,5-diethyl-4-nitropyrazol-1-yl)-3-methylbut-2-enoic acid
CID 82702988
3-ethyl-1,5-dimethyl-4-nitropyrazole
CID 89037224
1-(azetidin-3-ylmethyl)-3,5-diethyl-4-nitropyrazole
CID 112745302
methyl (Z)-4-(3,5-diethyl-4-nitropyrazol-1-yl)-2-methylbut-2-enoate
CID 82702110
4-[(3,5-diethyl-4-nitropyrazol-1-yl)methyl]piperidin-4-ol
CID 82702221
1-[2-(azetidin-3-yl)ethyl]-3,5-diethyl-4-nitropyrazole
CID 107391393

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3,5-diethyl-4-nitropyrazol-1-yl)propan-2-ol?
The IUPAC name of 1-amino-3-(3,5-diethyl-4-nitropyrazol-1-yl)propan-2-ol (CID 82702198) is 1-amino-3-(3,5-diethyl-4-nitropyrazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-amino-3-(3,5-diethyl-4-nitropyrazol-1-yl)propan-2-ol?
The canonical SMILES for 1-amino-3-(3,5-diethyl-4-nitropyrazol-1-yl)propan-2-ol is CCc1nn(CC(O)CN)c(CC)c1[N+](=O)[O-].
What is the InChIKey of 1-amino-3-(3,5-diethyl-4-nitropyrazol-1-yl)propan-2-ol?
The InChIKey is WEQVOMZSROAHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-3-8-10(14(16)17)9(4-2)13(12-8)6-7(15)5-11/h7,15H,3-6,11H2,1-2H3.
What are the key properties of 1-amino-3-(3,5-diethyl-4-nitropyrazol-1-yl)propan-2-ol?
1-amino-3-(3,5-diethyl-4-nitropyrazol-1-yl)propan-2-ol has a molecular weight of 242.28 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3,5-diethyl-4-nitropyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 82702198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).