2-[4-[(1-ethenylpyrazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol

C15H21N5O — CID 106936420

IUPAC2-[4-[(1-ethenylpyrazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESC=Cn1cc(CNC2CCCc3c2cnn3CCO)cn1
InChIInChI=1S/C15H21N5O/c1-2-19-11-12(9-17-19)8-16-14-4-3-5-15-13(14)10-18-20(15)6-7-21/h2,9-11,14,16,21H,1,3-8H2
InChIKeyGRRPXLSPFXJXMP-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.34
Rot. Bonds6

About 2-[4-[(1-ethenylpyrazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol

2-[4-[(1-ethenylpyrazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol (PubChem CID 106936420) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-[4-[(1-ethenylpyrazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(1-ethenylpyrazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
PubChem CID106936420
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-[4-[(1-ethenylpyrazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESC=Cn1cc(CNC2CCCc3c2cnn3CCO)cn1
InChIInChI=1S/C15H21N5O/c1-2-19-11-12(9-17-19)8-16-14-4-3-5-15-13(14)10-18-20(15)6-7-21/h2,9-11,14,16,21H,1,3-8H2
InChIKeyGRRPXLSPFXJXMP-UHFFFAOYSA-N
XLogP1.34
TPSA67.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(3-fluorophenyl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752494
2-[4-[(3-bromophenyl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752493
2-[4-(2-methylpropylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752513
1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 86772207
2-[4-(prop-2-ynylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 63953086
2-[4-(2,2-dimethoxyethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 55234277
2-[4-[(3-ethylimidazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 66132580
2-[4-(hexylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752487
(4R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 95778646
2-[4-[(4-chloro-3-nitrophenyl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol;hydrochloride
CID 51133255
5-[[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]furan-2-carbonitrile
CID 115652694
2-[4-[(2,5-dimethoxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 136579125

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-ethenylpyrazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(1-ethenylpyrazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol (CID 106936420) is 2-[4-[(1-ethenylpyrazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(1-ethenylpyrazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(1-ethenylpyrazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol is C=Cn1cc(CNC2CCCc3c2cnn3CCO)cn1.
What is the InChIKey of 2-[4-[(1-ethenylpyrazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The InChIKey is GRRPXLSPFXJXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-2-19-11-12(9-17-19)8-16-14-4-3-5-15-13(14)10-18-20(15)6-7-21/h2,9-11,14,16,21H,1,3-8H2.
What are the key properties of 2-[4-[(1-ethenylpyrazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
2-[4-[(1-ethenylpyrazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol has a molecular weight of 287.37 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-ethenylpyrazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol is sourced from PubChem (CID 106936420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).