1-cyclopropyl-4-[(3S)-3-methylpyrrolidin-1-yl]-5-nitroindazole

C15H18N4O2 — CID 168988411

IUPAC1-cyclopropyl-4-[(3S)-3-methylpyrrolidin-1-yl]-5-nitroindazole
SMILESC[C@H]1CCN(c2c([N+](=O)[O-])ccc3c2cnn3C2CC2)C1
InChIInChI=1S/C15H18N4O2/c1-10-6-7-17(9-10)15-12-8-16-18(11-2-3-11)13(12)4-5-14(15)19(20)21/h4-5,8,10-11H,2-3,6-7,9H2,1H3/t10-/m0/s1
InChIKeyVWWHTQLYYNAXQL-JTQLQIEISA-N
MW286.33 g/mol
LogP3.13
Rot. Bonds3

About 1-cyclopropyl-4-[(3S)-3-methylpyrrolidin-1-yl]-5-nitroindazole

1-cyclopropyl-4-[(3S)-3-methylpyrrolidin-1-yl]-5-nitroindazole (PubChem CID 168988411) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-cyclopropyl-4-[(3S)-3-methylpyrrolidin-1-yl]-5-nitroindazole.

Molecular Properties

Compound Name1-cyclopropyl-4-[(3S)-3-methylpyrrolidin-1-yl]-5-nitroindazole
PubChem CID168988411
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-cyclopropyl-4-[(3S)-3-methylpyrrolidin-1-yl]-5-nitroindazole
SMILESC[C@H]1CCN(c2c([N+](=O)[O-])ccc3c2cnn3C2CC2)C1
InChIInChI=1S/C15H18N4O2/c1-10-6-7-17(9-10)15-12-8-16-18(11-2-3-11)13(12)4-5-14(15)19(20)21/h4-5,8,10-11H,2-3,6-7,9H2,1H3/t10-/m0/s1
InChIKeyVWWHTQLYYNAXQL-JTQLQIEISA-N
XLogP3.13
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-methyl-4-[(3S)-3-methylpyrrolidin-1-yl]-5-nitroindazole
CID 168988389
N-[1-cyclopropyl-4-(3-methylpyrrolidin-1-yl)indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 168988770
N-[1-cyclopropyl-4-[(3R)-3-methylpyrrolidin-1-yl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 170088275
1-(2-fluorophenyl)-4-[(3R)-3-methylpiperidin-1-yl]-5-nitro-2-(trifluoromethyl)benzimidazole
CID 175535222
3-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-ol
CID 114680956
5-azido-1-(1-cyclopropyl-4-nitropyrazol-5-yl)azepan-4-ol
CID 86712996
6-(3-methylpiperidin-1-yl)-5-nitropyridin-2-amine
CID 80763904
1-(6-bromo-3-nitroquinolin-4-yl)-N-methylpyrrolidin-3-amine
CID 115300891
3-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-nitrobenzamide
CID 56559110
N-methyl-1-(3-nitro-4-pyridinyl)pyrrolidin-3-amine
CID 115300967
[3-(3-methylpyrrolidin-1-yl)-2-nitrophenyl]hydrazine
CID 80898807
1-(1-ethylpiperidin-4-yl)-5-nitroindazole
CID 68610601

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[(3S)-3-methylpyrrolidin-1-yl]-5-nitroindazole?
The IUPAC name of 1-cyclopropyl-4-[(3S)-3-methylpyrrolidin-1-yl]-5-nitroindazole (CID 168988411) is 1-cyclopropyl-4-[(3S)-3-methylpyrrolidin-1-yl]-5-nitroindazole.
What is the SMILES notation for 1-cyclopropyl-4-[(3S)-3-methylpyrrolidin-1-yl]-5-nitroindazole?
The canonical SMILES for 1-cyclopropyl-4-[(3S)-3-methylpyrrolidin-1-yl]-5-nitroindazole is C[C@H]1CCN(c2c([N+](=O)[O-])ccc3c2cnn3C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-4-[(3S)-3-methylpyrrolidin-1-yl]-5-nitroindazole?
The InChIKey is VWWHTQLYYNAXQL-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-6-7-17(9-10)15-12-8-16-18(11-2-3-11)13(12)4-5-14(15)19(20)21/h4-5,8,10-11H,2-3,6-7,9H2,1H3/t10-/m0/s1.
What are the key properties of 1-cyclopropyl-4-[(3S)-3-methylpyrrolidin-1-yl]-5-nitroindazole?
1-cyclopropyl-4-[(3S)-3-methylpyrrolidin-1-yl]-5-nitroindazole has a molecular weight of 286.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[(3S)-3-methylpyrrolidin-1-yl]-5-nitroindazole is sourced from PubChem (CID 168988411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).