4-[(1H-indazol-6-ylmethylamino)methyl]pyrrolidin-3-ol

C13H18N4O — CID 120961737

IUPAC4-[(1H-indazol-6-ylmethylamino)methyl]pyrrolidin-3-ol
SMILESOC1CNCC1CNCc1ccc2cn[nH]c2c1
InChIInChI=1S/C13H18N4O/c18-13-8-15-6-11(13)5-14-4-9-1-2-10-7-16-17-12(10)3-9/h1-3,7,11,13-15,18H,4-6,8H2,(H,16,17)
InChIKeySCNCVMOTAPMGJJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.23
Rot. Bonds4

About 4-[(1H-indazol-6-ylmethylamino)methyl]pyrrolidin-3-ol

4-[(1H-indazol-6-ylmethylamino)methyl]pyrrolidin-3-ol (PubChem CID 120961737) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-[(1H-indazol-6-ylmethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[(1H-indazol-6-ylmethylamino)methyl]pyrrolidin-3-ol
PubChem CID120961737
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name4-[(1H-indazol-6-ylmethylamino)methyl]pyrrolidin-3-ol
SMILESOC1CNCC1CNCc1ccc2cn[nH]c2c1
InChIInChI=1S/C13H18N4O/c18-13-8-15-6-11(13)5-14-4-9-1-2-10-7-16-17-12(10)3-9/h1-3,7,11,13-15,18H,4-6,8H2,(H,16,17)
InChIKeySCNCVMOTAPMGJJ-UHFFFAOYSA-N
XLogP0.23
TPSA72.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,2S)-2-[[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]methyl]cyclohexan-1-ol
CID 168298196
cis-(1R,2S)-2-[[(6-methyl-1H-indazol-4-yl)amino]methyl]cyclohexan-1-ol
CID 168298720
2-[6-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]ethanol
CID 25008674
cis-(1R,2S)-2-[[(6-amino-1H-indazol-4-yl)amino]methyl]cyclohexan-1-ol
CID 168298019
3-({[3-(1H-indazol-1-yl)propyl]amino}methyl)pyrrolidin-3-ol
CID 70738681
(3R)-3-hydroxy-N-1H-indazol-5-ylpyrrolidine-1-carboxamide
CID 118791268
(3R,4S)-N-(1H-indazol-6-ylmethyl)-4-(triazol-1-yl)oxolan-3-amine
CID 120940442
1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-(1H-indazol-6-ylmethyl)methanamine
CID 124545861
(1R)-1-(3,5-dimethylphenyl)-2-(1H-indazol-6-ylmethylamino)ethanol
CID 125141737
6-[(2-ethoxy-6-azaspiro[3.4]octan-6-yl)methyl]-1H-indazole
CID 126813465
5-(1H-indazol-6-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 126820161
(2S)-N-(1H-indazol-6-ylmethyl)-1-morpholin-4-ylpropan-2-amine
CID 129381983

Frequently Asked Questions

What is the IUPAC name of 4-[(1H-indazol-6-ylmethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 4-[(1H-indazol-6-ylmethylamino)methyl]pyrrolidin-3-ol (CID 120961737) is 4-[(1H-indazol-6-ylmethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 4-[(1H-indazol-6-ylmethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 4-[(1H-indazol-6-ylmethylamino)methyl]pyrrolidin-3-ol is OC1CNCC1CNCc1ccc2cn[nH]c2c1.
What is the InChIKey of 4-[(1H-indazol-6-ylmethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is SCNCVMOTAPMGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c18-13-8-15-6-11(13)5-14-4-9-1-2-10-7-16-17-12(10)3-9/h1-3,7,11,13-15,18H,4-6,8H2,(H,16,17).
What are the key properties of 4-[(1H-indazol-6-ylmethylamino)methyl]pyrrolidin-3-ol?
4-[(1H-indazol-6-ylmethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 246.31 g/mol, XLogP of 0.23, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1H-indazol-6-ylmethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 120961737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).