tert-butyl N-[2-[[5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl]amino]ethyl]carbamate

C20H34N4O3 — CID 25161463

IUPACtert-butyl N-[2-[[5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl]amino]ethyl]carbamate
SMILESCCC(C)(C)C1CCc2[nH]nc(C(=O)NCCNC(=O)OC(C)(C)C)c2C1
InChIInChI=1S/C20H34N4O3/c1-7-20(5,6)13-8-9-15-14(12-13)16(24-23-15)17(25)21-10-11-22-18(26)27-19(2,3)4/h13H,7-12H2,1-6H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyNSXOLJLYMOKDRU-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.21
Rot. Bonds6

About tert-butyl N-[2-[[5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl]amino]ethyl]carbamate

tert-butyl N-[2-[[5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl]amino]ethyl]carbamate (PubChem CID 25161463) has the molecular formula C20H34N4O3 and a molecular weight of 378.52 g/mol. Its IUPAC name is tert-butyl N-[2-[[5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl]amino]ethyl]carbamate
PubChem CID25161463
Molecular FormulaC20H34N4O3
Molecular Weight378.52 g/mol
Exact Mass378.26
IUPAC Nametert-butyl N-[2-[[5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl]amino]ethyl]carbamate
SMILESCCC(C)(C)C1CCc2[nH]nc(C(=O)NCCNC(=O)OC(C)(C)C)c2C1
InChIInChI=1S/C20H34N4O3/c1-7-20(5,6)13-8-9-15-14(12-13)16(24-23-15)17(25)21-10-11-22-18(26)27-19(2,3)4/h13H,7-12H2,1-6H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyNSXOLJLYMOKDRU-UHFFFAOYSA-N
XLogP3.21
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[2-[[5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl]amino]ethyl]carbamate with MolForge

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Related Compounds

5-(2-methylbutan-2-yl)-N-prop-2-enyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25161459
5-(2-methylbutan-2-yl)-N-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25161475
tert-butyl N-[3-[[5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl]amino]propyl]carbamate
CID 25163043
N-cyclopentyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25163871
N-[2-(1-Cyclohexenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 20887974
5-(2-methylbutan-2-yl)-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25161456
N-(cyclopropylmethyl)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25161457
N-cyclohexyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25161458
5-(2-methylbutan-2-yl)-N-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25163410
5-methyl-N~3~-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 53017365
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 97266107
N-[(3S)-2-oxoazepan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 97444383

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl]amino]ethyl]carbamate (CID 25161463) is tert-butyl N-[2-[[5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl]amino]ethyl]carbamate is CCC(C)(C)C1CCc2[nH]nc(C(=O)NCCNC(=O)OC(C)(C)C)c2C1.
What is the InChIKey of tert-butyl N-[2-[[5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl]amino]ethyl]carbamate?
The InChIKey is NSXOLJLYMOKDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O3/c1-7-20(5,6)13-8-9-15-14(12-13)16(24-23-15)17(25)21-10-11-22-18(26)27-19(2,3)4/h13H,7-12H2,1-6H3,(H,21,25)(H,22,26)(H,23,24).
What are the key properties of tert-butyl N-[2-[[5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl]amino]ethyl]carbamate?
tert-butyl N-[2-[[5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl]amino]ethyl]carbamate has a molecular weight of 378.52 g/mol, XLogP of 3.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl]amino]ethyl]carbamate is sourced from PubChem (CID 25161463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).