2-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol

C15H26N4O — CID 81329080

IUPAC2-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESCC1CC(NC2CCCc3c2cnn3CCO)CN1C
InChIInChI=1S/C15H26N4O/c1-11-8-12(10-18(11)2)17-14-4-3-5-15-13(14)9-16-19(15)6-7-20/h9,11-12,14,17,20H,3-8,10H2,1-2H3
InChIKeyJRDVCPZCHFTVSR-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.94
Rot. Bonds4

About 2-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol

2-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol (PubChem CID 81329080) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
PubChem CID81329080
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESCC1CC(NC2CCCc3c2cnn3CCO)CN1C
InChIInChI=1S/C15H26N4O/c1-11-8-12(10-18(11)2)17-14-4-3-5-15-13(14)9-16-19(15)6-7-20/h9,11-12,14,17,20H,3-8,10H2,1-2H3
InChIKeyJRDVCPZCHFTVSR-UHFFFAOYSA-N
XLogP0.94
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol with MolForge

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Related Compounds

N-(1,5-dimethylpyrrolidin-3-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 81297409
2-[4-[(3-aminocyclobutyl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 80560605
2-[4-(thian-3-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 62873461
2-[4-[(1,1-dioxothiolan-3-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 63162906
2-[4-(2-methylpropylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752513
2-[4-(prop-2-ynylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 63953086
2-[4-(pentan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752538
2-[4-(2,2-dimethoxyethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 55234277
2-[4-(hexylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752487
3-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]-2-methylbutan-2-ol
CID 65337779
4-hydroxy-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pentanamide
CID 79204522
2-[4-(heptan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752475

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol (CID 81329080) is 2-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol is CC1CC(NC2CCCc3c2cnn3CCO)CN1C.
What is the InChIKey of 2-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The InChIKey is JRDVCPZCHFTVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11-8-12(10-18(11)2)17-14-4-3-5-15-13(14)9-16-19(15)6-7-20/h9,11-12,14,17,20H,3-8,10H2,1-2H3.
What are the key properties of 2-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
2-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol has a molecular weight of 278.40 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol is sourced from PubChem (CID 81329080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).