tert-butyl N-(3-methyl-2H-indazol-5-yl)carbamate

C13H17N3O2 — CID 22567266

IUPACtert-butyl N-(3-methyl-2H-indazol-5-yl)carbamate
SMILESCc1[nH]nc2ccc(NC(=O)OC(C)(C)C)cc12
InChIInChI=1S/C13H17N3O2/c1-8-10-7-9(5-6-11(10)16-15-8)14-12(17)18-13(2,3)4/h5-7H,1-4H3,(H,14,17)(H,15,16)
InChIKeyYUQXJNSMFOBAGB-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.22
Rot. Bonds1

About tert-butyl N-(3-methyl-2H-indazol-5-yl)carbamate

tert-butyl N-(3-methyl-2H-indazol-5-yl)carbamate (PubChem CID 22567266) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is tert-butyl N-(3-methyl-2H-indazol-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-methyl-2H-indazol-5-yl)carbamate
PubChem CID22567266
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Nametert-butyl N-(3-methyl-2H-indazol-5-yl)carbamate
SMILESCc1[nH]nc2ccc(NC(=O)OC(C)(C)C)cc12
InChIInChI=1S/C13H17N3O2/c1-8-10-7-9(5-6-11(10)16-15-8)14-12(17)18-13(2,3)4/h5-7H,1-4H3,(H,14,17)(H,15,16)
InChIKeyYUQXJNSMFOBAGB-UHFFFAOYSA-N
XLogP3.22
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(3-methyl-2H-indazol-6-yl)carbamate
CID 57295675
tert-butyl N-(3-iodo-2H-indazol-5-yl)carbamate
CID 67453726
tert-butyl N-(4-formyl-3-methylphenyl)carbamate
CID 84797413
tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate
CID 132820274
N-(3-methyl-2H-indazol-5-yl)thiophene-2-carboxamide
CID 123632210
tert-butyl N-[2-formyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 545458
tert-butyl N-[1-[(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)amino]-1-oxopropan-2-yl]carbamate
CID 58812138
tert-butyl N-(1,3-dimethylindol-5-yl)carbamate
CID 90162227
CID 164562081
CID 164562081
tert-butyl N-(2-methyl-1,3-benzoxazol-5-yl)carbamate
CID 65142575
methyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-benzimidazole-2-carboxylate
CID 147345487
tert-butyl N-(3-amino-4-methylphenyl)carbamate;hydrobromide
CID 131885239

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-methyl-2H-indazol-5-yl)carbamate?
The IUPAC name of tert-butyl N-(3-methyl-2H-indazol-5-yl)carbamate (CID 22567266) is tert-butyl N-(3-methyl-2H-indazol-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-methyl-2H-indazol-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-methyl-2H-indazol-5-yl)carbamate is Cc1[nH]nc2ccc(NC(=O)OC(C)(C)C)cc12.
What is the InChIKey of tert-butyl N-(3-methyl-2H-indazol-5-yl)carbamate?
The InChIKey is YUQXJNSMFOBAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8-10-7-9(5-6-11(10)16-15-8)14-12(17)18-13(2,3)4/h5-7H,1-4H3,(H,14,17)(H,15,16).
What are the key properties of tert-butyl N-(3-methyl-2H-indazol-5-yl)carbamate?
tert-butyl N-(3-methyl-2H-indazol-5-yl)carbamate has a molecular weight of 247.30 g/mol, XLogP of 3.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-methyl-2H-indazol-5-yl)carbamate is sourced from PubChem (CID 22567266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).