benzyl N-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)carbamate

C15H18N4O2 — CID 175325896

IUPACbenzyl N-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)carbamate
SMILESO=C(NNC1CCc2[nH]ncc2C1)OCc1ccccc1
InChIInChI=1S/C15H18N4O2/c20-15(21-10-11-4-2-1-3-5-11)19-17-13-6-7-14-12(8-13)9-16-18-14/h1-5,9,13,17H,6-8,10H2,(H,16,18)(H,19,20)
InChIKeyGFLYDDJWECLVRJ-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.70
Rot. Bonds4

About benzyl N-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)carbamate

benzyl N-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)carbamate (PubChem CID 175325896) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is benzyl N-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)carbamate.

Molecular Properties

Compound Namebenzyl N-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)carbamate
PubChem CID175325896
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Namebenzyl N-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)carbamate
SMILESO=C(NNC1CCc2[nH]ncc2C1)OCc1ccccc1
InChIInChI=1S/C15H18N4O2/c20-15(21-10-11-4-2-1-3-5-11)19-17-13-6-7-14-12(8-13)9-16-18-14/h1-5,9,13,17H,6-8,10H2,(H,16,18)(H,19,20)
InChIKeyGFLYDDJWECLVRJ-UHFFFAOYSA-N
XLogP1.70
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[(3-amino-4,5,6,7-tetrahydro-1H-indazol-5-yl)amino]carbamate
CID 174943242
1-(2-methyl-1-phenylmethoxypropan-2-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 124852777
2-benzyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,3-thiazole-4-carboxamide
CID 70711066
5-benzyl-1-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrazole-4-carboxamide
CID 166218790
1-[(2-cyclobutyloxyphenyl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 75383144
1-(5-phenyl-1,2-oxazol-3-yl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 97327533
benzyl N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-7-yl)carbamate
CID 70858785
benzyl N-(carbamoylamino)carbamate
CID 141421180
benzyl N-[3-(1H-indazol-5-ylamino)cyclobutyl]carbamate
CID 103393058
N'-(2-phenylsulfanylphenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]oxamide
CID 99718936
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl N-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 11175233

Frequently Asked Questions

What is the IUPAC name of benzyl N-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)carbamate?
The IUPAC name of benzyl N-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)carbamate (CID 175325896) is benzyl N-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)carbamate.
What is the SMILES notation for benzyl N-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)carbamate?
The canonical SMILES for benzyl N-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)carbamate is O=C(NNC1CCc2[nH]ncc2C1)OCc1ccccc1.
What is the InChIKey of benzyl N-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)carbamate?
The InChIKey is GFLYDDJWECLVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-15(21-10-11-4-2-1-3-5-11)19-17-13-6-7-14-12(8-13)9-16-18-14/h1-5,9,13,17H,6-8,10H2,(H,16,18)(H,19,20).
What are the key properties of benzyl N-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)carbamate?
benzyl N-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)carbamate has a molecular weight of 286.33 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)carbamate is sourced from PubChem (CID 175325896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).