(3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-ol

C10H16N4O3 — CID 104892733

IUPAC(3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-ol
SMILESCCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H](O)C1
InChIInChI=1S/C10H16N4O3/c1-3-13-10(12-5-4-8(15)6-12)9(14(16)17)7(2)11-13/h8,15H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyVKULDJCCDMZGBJ-MRVPVSSYSA-N
MW240.26 g/mol
LogP0.69
Rot. Bonds3

About (3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-ol

(3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-ol (PubChem CID 104892733) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is (3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-ol
PubChem CID104892733
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name(3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-ol
SMILESCCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H](O)C1
InChIInChI=1S/C10H16N4O3/c1-3-13-10(12-5-4-8(15)6-12)9(14(16)17)7(2)11-13/h8,15H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyVKULDJCCDMZGBJ-MRVPVSSYSA-N
XLogP0.69
TPSA84.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.69
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-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)azetidin-3-ol
CID 66012841
1-[1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-yl]ethanamine
CID 103976800
1-[1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)piperidin-4-yl]ethanol
CID 106837306
3-methyl-1-(3-methyl-4-nitro-1-propylpyrazol-5-yl)piperidin-4-ol
CID 114680906
1-cyclopropyl-6-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 122145567
1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-4-methylpiperidine-4-carboxylic acid
CID 66012964
(2R)-2-(cyclopropylmethoxymethyl)-4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)morpholine
CID 124888980
N-[[(3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine
CID 99836664
1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)piperidine-2-carbaldehyde
CID 66012079
4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 119040093
1-[1-(3-methyl-4-nitro-1-propylpyrazol-5-yl)piperidin-4-yl]ethanamine
CID 66028595
1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-4-thiophen-2-ylpiperazine
CID 122145561

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-ol (CID 104892733) is (3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-ol is CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-ol?
The InChIKey is VKULDJCCDMZGBJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-3-13-10(12-5-4-8(15)6-12)9(14(16)17)7(2)11-13/h8,15H,3-6H2,1-2H3/t8-/m1/s1.
What are the key properties of (3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-ol?
(3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-ol has a molecular weight of 240.26 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 104892733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).