cyclobutyl N-[2-(1H-indazol-5-yl)ethyl]carbamate

C14H17N3O2 — CID 126835076

IUPACcyclobutyl N-[2-(1H-indazol-5-yl)ethyl]carbamate
SMILESO=C(NCCc1ccc2[nH]ncc2c1)OC1CCC1
InChIInChI=1S/C14H17N3O2/c18-14(19-12-2-1-3-12)15-7-6-10-4-5-13-11(8-10)9-16-17-13/h4-5,8-9,12H,1-3,6-7H2,(H,15,18)(H,16,17)
InChIKeyKRMSKXRRKGYLTI-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.38
Rot. Bonds4

About cyclobutyl N-[2-(1H-indazol-5-yl)ethyl]carbamate

cyclobutyl N-[2-(1H-indazol-5-yl)ethyl]carbamate (PubChem CID 126835076) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is cyclobutyl N-[2-(1H-indazol-5-yl)ethyl]carbamate.

Molecular Properties

Compound Namecyclobutyl N-[2-(1H-indazol-5-yl)ethyl]carbamate
PubChem CID126835076
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Namecyclobutyl N-[2-(1H-indazol-5-yl)ethyl]carbamate
SMILESO=C(NCCc1ccc2[nH]ncc2c1)OC1CCC1
InChIInChI=1S/C14H17N3O2/c18-14(19-12-2-1-3-12)15-7-6-10-4-5-13-11(8-10)9-16-17-13/h4-5,8-9,12H,1-3,6-7H2,(H,15,18)(H,16,17)
InChIKeyKRMSKXRRKGYLTI-UHFFFAOYSA-N
XLogP2.38
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(1H-indazol-5-yl)ethyl]acetamide
CID 154880645
N-[2-(1H-indazol-6-yl)ethyl]cyclopentanecarboxamide
CID 155945475
tert-butyl N-(1H-indazol-5-ylmethyl)carbamate
CID 59462463
N-(2-phenylethyl)-1H-indazole-5-carboxamide
CID 22933558
N-[2-[(1S,2S)-2-hydroxycyclohexyl]ethyl]-2-(1H-indazol-5-yl)acetamide
CID 164629485
N-[2-(1H-indazol-5-yl)ethyl]piperidine-1-sulfonamide
CID 126835078
2-(1H-indazol-5-yl)acetic acid
CID 39103838
N-(1H-indazol-5-ylmethyl)propanamide
CID 165111571
N-(2,2-dimethylcyclopentyl)-2-(1H-indazol-5-yl)acetamide
CID 119037007
3-(1H-indazole-5-carbonylamino)propanoic acid
CID 43354730
5-(methoxymethyl)-1H-indazole
CID 123206066
1-(cyclopropylmethyl)-3-(1H-indazol-5-yl)urea
CID 166196110

Frequently Asked Questions

What is the IUPAC name of cyclobutyl N-[2-(1H-indazol-5-yl)ethyl]carbamate?
The IUPAC name of cyclobutyl N-[2-(1H-indazol-5-yl)ethyl]carbamate (CID 126835076) is cyclobutyl N-[2-(1H-indazol-5-yl)ethyl]carbamate.
What is the SMILES notation for cyclobutyl N-[2-(1H-indazol-5-yl)ethyl]carbamate?
The canonical SMILES for cyclobutyl N-[2-(1H-indazol-5-yl)ethyl]carbamate is O=C(NCCc1ccc2[nH]ncc2c1)OC1CCC1.
What is the InChIKey of cyclobutyl N-[2-(1H-indazol-5-yl)ethyl]carbamate?
The InChIKey is KRMSKXRRKGYLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-14(19-12-2-1-3-12)15-7-6-10-4-5-13-11(8-10)9-16-17-13/h4-5,8-9,12H,1-3,6-7H2,(H,15,18)(H,16,17).
What are the key properties of cyclobutyl N-[2-(1H-indazol-5-yl)ethyl]carbamate?
cyclobutyl N-[2-(1H-indazol-5-yl)ethyl]carbamate has a molecular weight of 259.31 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl N-[2-(1H-indazol-5-yl)ethyl]carbamate is sourced from PubChem (CID 126835076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).