[3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone

C14H17N3O2 — CID 103120147

IUPAC[3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
SMILESCn1nc(C(=O)N2CCC(CO)C2)c2ccccc21
InChIInChI=1S/C14H17N3O2/c1-16-12-5-3-2-4-11(12)13(15-16)14(19)17-7-6-10(8-17)9-18/h2-5,10,18H,6-9H2,1H3
InChIKeyKTZRDGXJZMBMMA-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.03
Rot. Bonds2

About [3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone

[3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone (PubChem CID 103120147) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is [3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
PubChem CID103120147
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name[3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
SMILESCn1nc(C(=O)N2CCC(CO)C2)c2ccccc21
InChIInChI=1S/C14H17N3O2/c1-16-12-5-3-2-4-11(12)13(15-16)14(19)17-7-6-10(8-17)9-18/h2-5,10,18H,6-9H2,1H3
InChIKeyKTZRDGXJZMBMMA-UHFFFAOYSA-N
XLogP1.03
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 166081502
[3-(methylamino)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103121000
(4-bromopiperidin-1-yl)-(1-methylindazol-3-yl)methanone
CID 103122439
[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 133122142
N-[(3S,4S)-4-(hydroxymethyl)-1-(1-methylindazole-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide
CID 91910006
(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 110848618
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone
CID 166081487
(3S)-4-(cyclopropylmethyl)-1-(1-methylindazole-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one
CID 95713276
4-ethyl-2-methyl-5-[1-(1-methylindazole-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 56721319
[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 126892556
(3S,4S)-4-(hydroxymethyl)-N-methyl-1-(1-methylindazole-3-carbonyl)pyrrolidine-3-carboxamide
CID 110203679
(1-methylindazol-3-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 121019723

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone?
The IUPAC name of [3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone (CID 103120147) is [3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone.
What is the SMILES notation for [3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone?
The canonical SMILES for [3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone is Cn1nc(C(=O)N2CCC(CO)C2)c2ccccc21.
What is the InChIKey of [3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone?
The InChIKey is KTZRDGXJZMBMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-16-12-5-3-2-4-11(12)13(15-16)14(19)17-7-6-10(8-17)9-18/h2-5,10,18H,6-9H2,1H3.
What are the key properties of [3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone?
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone has a molecular weight of 259.31 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone is sourced from PubChem (CID 103120147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).