[2-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indazol-7-yl)methanone

C13H15N3O2 — CID 91661580

IUPAC[2-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indazol-7-yl)methanone
SMILESO=C(c1cccc2cn[nH]c12)N1CCCC1CO
InChIInChI=1S/C13H15N3O2/c17-8-10-4-2-6-16(10)13(18)11-5-1-3-9-7-14-15-12(9)11/h1,3,5,7,10,17H,2,4,6,8H2,(H,14,15)
InChIKeyUJHIOKKVRGQNEZ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.16
Rot. Bonds2

About [2-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indazol-7-yl)methanone

[2-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indazol-7-yl)methanone (PubChem CID 91661580) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is [2-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indazol-7-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indazol-7-yl)methanone
PubChem CID91661580
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name[2-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indazol-7-yl)methanone
SMILESO=C(c1cccc2cn[nH]c12)N1CCCC1CO
InChIInChI=1S/C13H15N3O2/c17-8-10-4-2-6-16(10)13(18)11-5-1-3-9-7-14-15-12(9)11/h1,3,5,7,10,17H,2,4,6,8H2,(H,14,15)
InChIKeyUJHIOKKVRGQNEZ-UHFFFAOYSA-N
XLogP1.16
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indazol-7-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(aminomethyl)piperidin-1-yl]-(1H-indazol-7-yl)methanone
CID 119468138
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1H-indazol-7-yl)methanone
CID 124690233
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 14622137
1H-indazol-7-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 84596747
1H-indazol-7-yl-(2-pyridin-4-ylazepan-1-yl)methanone
CID 87045422
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-isoquinolin-4-ylmethanone
CID 97246459
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-iodophenyl)methanone
CID 66261712
(3-chloro-2-methylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107097816
3-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 66262185
(3-amino-2-methylphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107209984
[2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62849882
[2-(dimethylamino)phenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 110473297

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indazol-7-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indazol-7-yl)methanone (CID 91661580) is [2-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indazol-7-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indazol-7-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indazol-7-yl)methanone is O=C(c1cccc2cn[nH]c12)N1CCCC1CO.
What is the InChIKey of [2-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indazol-7-yl)methanone?
The InChIKey is UJHIOKKVRGQNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-8-10-4-2-6-16(10)13(18)11-5-1-3-9-7-14-15-12(9)11/h1,3,5,7,10,17H,2,4,6,8H2,(H,14,15).
What are the key properties of [2-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indazol-7-yl)methanone?
[2-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indazol-7-yl)methanone has a molecular weight of 245.28 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indazol-7-yl)methanone is sourced from PubChem (CID 91661580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).