methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propyl]carbamate

C16H26N4O2 — CID 118313474

IUPACmethyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propyl]carbamate
SMILESCOC(=O)NCCCn1nc([C@@H](C)NC2CC2)c2c1CCC2
InChIInChI=1S/C16H26N4O2/c1-11(18-12-7-8-12)15-13-5-3-6-14(13)20(19-15)10-4-9-17-16(21)22-2/h11-12,18H,3-10H2,1-2H3,(H,17,21)/t11-/m1/s1
InChIKeyCGQAUYRKPVGRRF-LLVKDONJSA-N
MW306.41 g/mol
LogP1.93
Rot. Bonds7

About methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propyl]carbamate

methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propyl]carbamate (PubChem CID 118313474) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propyl]carbamate
PubChem CID118313474
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Namemethyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propyl]carbamate
SMILESCOC(=O)NCCCn1nc([C@@H](C)NC2CC2)c2c1CCC2
InChIInChI=1S/C16H26N4O2/c1-11(18-12-7-8-12)15-13-5-3-6-14(13)20(19-15)10-4-9-17-16(21)22-2/h11-12,18H,3-10H2,1-2H3,(H,17,21)/t11-/m1/s1
InChIKeyCGQAUYRKPVGRRF-LLVKDONJSA-N
XLogP1.93
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.93
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]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propyl]carbamate?
The IUPAC name of methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propyl]carbamate (CID 118313474) is methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propyl]carbamate.
What is the SMILES notation for methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propyl]carbamate?
The canonical SMILES for methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propyl]carbamate is COC(=O)NCCCn1nc([C@@H](C)NC2CC2)c2c1CCC2.
What is the InChIKey of methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propyl]carbamate?
The InChIKey is CGQAUYRKPVGRRF-LLVKDONJSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-11(18-12-7-8-12)15-13-5-3-6-14(13)20(19-15)10-4-9-17-16(21)22-2/h11-12,18H,3-10H2,1-2H3,(H,17,21)/t11-/m1/s1.
What are the key properties of methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propyl]carbamate?
methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propyl]carbamate has a molecular weight of 306.41 g/mol, XLogP of 1.93, 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]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propyl]carbamate is sourced from PubChem (CID 118313474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).