methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4,5,6,7-tetrahydroindazol-1-yl]propyl]carbamate

C17H28N4O2 — CID 118313473

IUPACmethyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4,5,6,7-tetrahydroindazol-1-yl]propyl]carbamate
SMILESCOC(=O)NCCCn1nc([C@@H](C)NC2CC2)c2c1CCCC2
InChIInChI=1S/C17H28N4O2/c1-12(19-13-8-9-13)16-14-6-3-4-7-15(14)21(20-16)11-5-10-18-17(22)23-2/h12-13,19H,3-11H2,1-2H3,(H,18,22)/t12-/m1/s1
InChIKeyRPACZDFADRFYKC-GFCCVEGCSA-N
MW320.44 g/mol
LogP2.32
Rot. Bonds7

About methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4,5,6,7-tetrahydroindazol-1-yl]propyl]carbamate

methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4,5,6,7-tetrahydroindazol-1-yl]propyl]carbamate (PubChem CID 118313473) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4,5,6,7-tetrahydroindazol-1-yl]propyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4,5,6,7-tetrahydroindazol-1-yl]propyl]carbamate
PubChem CID118313473
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Namemethyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4,5,6,7-tetrahydroindazol-1-yl]propyl]carbamate
SMILESCOC(=O)NCCCn1nc([C@@H](C)NC2CC2)c2c1CCCC2
InChIInChI=1S/C17H28N4O2/c1-12(19-13-8-9-13)16-14-6-3-4-7-15(14)21(20-16)11-5-10-18-17(22)23-2/h12-13,19H,3-11H2,1-2H3,(H,18,22)/t12-/m1/s1
InChIKeyRPACZDFADRFYKC-GFCCVEGCSA-N
XLogP2.32
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4,5,6,7-tetrahydroindazol-1-yl]propyl]carbamate with MolForge

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Related Compounds

methyl (2-(3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)ethyl)carbamate
CID 72718555
1-(2-methoxyethyl)-3-((1-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methyl)urea
CID 71808361
methyl ((1-cyclopentyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methyl)carbamate
CID 71808381
1-ethyl-3-((1-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methyl)urea
CID 71808360
N-((1-cyclopentyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methyl)butyramide
CID 71808383
(1S)-2,2-dimethyl-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 137984548
2-[3-(Trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethylcarbamic acid
CID 66874812
tert-Butyl {2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]ethyl}carbamate
CID 86653501
tert-butyl 2,7-dimethyl-3-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate
CID 168934777
1-ethyl-3-(2-(3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)ethyl)urea
CID 72718599
N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]acetamide
CID 90614746
ethyl N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]carbamate
CID 90614749

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4,5,6,7-tetrahydroindazol-1-yl]propyl]carbamate?
The IUPAC name of methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4,5,6,7-tetrahydroindazol-1-yl]propyl]carbamate (CID 118313473) is methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4,5,6,7-tetrahydroindazol-1-yl]propyl]carbamate.
What is the SMILES notation for methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4,5,6,7-tetrahydroindazol-1-yl]propyl]carbamate?
The canonical SMILES for methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4,5,6,7-tetrahydroindazol-1-yl]propyl]carbamate is COC(=O)NCCCn1nc([C@@H](C)NC2CC2)c2c1CCCC2.
What is the InChIKey of methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4,5,6,7-tetrahydroindazol-1-yl]propyl]carbamate?
The InChIKey is RPACZDFADRFYKC-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-12(19-13-8-9-13)16-14-6-3-4-7-15(14)21(20-16)11-5-10-18-17(22)23-2/h12-13,19H,3-11H2,1-2H3,(H,18,22)/t12-/m1/s1.
What are the key properties of methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4,5,6,7-tetrahydroindazol-1-yl]propyl]carbamate?
methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4,5,6,7-tetrahydroindazol-1-yl]propyl]carbamate has a molecular weight of 320.44 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4,5,6,7-tetrahydroindazol-1-yl]propyl]carbamate is sourced from PubChem (CID 118313473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).