benzyl N-[(3-amino-4,5,6,7-tetrahydro-1H-indazol-5-yl)amino]carbamate

C15H19N5O2 — CID 174943242

IUPACbenzyl N-[(3-amino-4,5,6,7-tetrahydro-1H-indazol-5-yl)amino]carbamate
SMILESNc1n[nH]c2c1CC(NNC(=O)OCc1ccccc1)CC2
InChIInChI=1S/C15H19N5O2/c16-14-12-8-11(6-7-13(12)18-19-14)17-20-15(21)22-9-10-4-2-1-3-5-10/h1-5,11,17H,6-9H2,(H,20,21)(H3,16,18,19)
InChIKeyLVUZEEGQLNNCMZ-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.28
Rot. Bonds4

About benzyl N-[(3-amino-4,5,6,7-tetrahydro-1H-indazol-5-yl)amino]carbamate

benzyl N-[(3-amino-4,5,6,7-tetrahydro-1H-indazol-5-yl)amino]carbamate (PubChem CID 174943242) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is benzyl N-[(3-amino-4,5,6,7-tetrahydro-1H-indazol-5-yl)amino]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3-amino-4,5,6,7-tetrahydro-1H-indazol-5-yl)amino]carbamate
PubChem CID174943242
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Namebenzyl N-[(3-amino-4,5,6,7-tetrahydro-1H-indazol-5-yl)amino]carbamate
SMILESNc1n[nH]c2c1CC(NNC(=O)OCc1ccccc1)CC2
InChIInChI=1S/C15H19N5O2/c16-14-12-8-11(6-7-13(12)18-19-14)17-20-15(21)22-9-10-4-2-1-3-5-10/h1-5,11,17H,6-9H2,(H,20,21)(H3,16,18,19)
InChIKeyLVUZEEGQLNNCMZ-UHFFFAOYSA-N
XLogP1.28
TPSA105.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl N-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)carbamate
CID 175325896
benzyl N-[(3R)-6-amino-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate
CID 89384459
benzyl N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-7-yl)carbamate
CID 70858785
methyl (5S)-2-amino-5-(phenylmethoxycarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 146278857
benzyl N-[(3S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate
CID 129322953
benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[(2-oxopyrrolidin-3-yl)amino]carbamate
CID 174500033
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-(carbamoylamino)carbamate
CID 141421180
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]carbamate
CID 124505476

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3-amino-4,5,6,7-tetrahydro-1H-indazol-5-yl)amino]carbamate?
The IUPAC name of benzyl N-[(3-amino-4,5,6,7-tetrahydro-1H-indazol-5-yl)amino]carbamate (CID 174943242) is benzyl N-[(3-amino-4,5,6,7-tetrahydro-1H-indazol-5-yl)amino]carbamate.
What is the SMILES notation for benzyl N-[(3-amino-4,5,6,7-tetrahydro-1H-indazol-5-yl)amino]carbamate?
The canonical SMILES for benzyl N-[(3-amino-4,5,6,7-tetrahydro-1H-indazol-5-yl)amino]carbamate is Nc1n[nH]c2c1CC(NNC(=O)OCc1ccccc1)CC2.
What is the InChIKey of benzyl N-[(3-amino-4,5,6,7-tetrahydro-1H-indazol-5-yl)amino]carbamate?
The InChIKey is LVUZEEGQLNNCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c16-14-12-8-11(6-7-13(12)18-19-14)17-20-15(21)22-9-10-4-2-1-3-5-10/h1-5,11,17H,6-9H2,(H,20,21)(H3,16,18,19).
What are the key properties of benzyl N-[(3-amino-4,5,6,7-tetrahydro-1H-indazol-5-yl)amino]carbamate?
benzyl N-[(3-amino-4,5,6,7-tetrahydro-1H-indazol-5-yl)amino]carbamate has a molecular weight of 301.35 g/mol, XLogP of 1.28, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3-amino-4,5,6,7-tetrahydro-1H-indazol-5-yl)amino]carbamate is sourced from PubChem (CID 174943242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).