methyl N-[3-[1-cyclohexyl-3-[(1S)-1-(cyclopropylamino)ethyl]pyrazol-5-yl]propyl]carbamate

C19H32N4O2 — CID 118313872

IUPACmethyl N-[3-[1-cyclohexyl-3-[(1S)-1-(cyclopropylamino)ethyl]pyrazol-5-yl]propyl]carbamate
SMILESCOC(=O)NCCCc1cc([C@H](C)NC2CC2)nn1C1CCCCC1
InChIInChI=1S/C19H32N4O2/c1-14(21-15-10-11-15)18-13-17(9-6-12-20-19(24)25-2)23(22-18)16-7-4-3-5-8-16/h13-16,21H,3-12H2,1-2H3,(H,20,24)/t14-/m0/s1
InChIKeyQZRNRJPPAFRONF-AWEZNQCLSA-N
MW348.49 g/mol
LogP3.49
Rot. Bonds8

About methyl N-[3-[1-cyclohexyl-3-[(1S)-1-(cyclopropylamino)ethyl]pyrazol-5-yl]propyl]carbamate

methyl N-[3-[1-cyclohexyl-3-[(1S)-1-(cyclopropylamino)ethyl]pyrazol-5-yl]propyl]carbamate (PubChem CID 118313872) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is methyl N-[3-[1-cyclohexyl-3-[(1S)-1-(cyclopropylamino)ethyl]pyrazol-5-yl]propyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[1-cyclohexyl-3-[(1S)-1-(cyclopropylamino)ethyl]pyrazol-5-yl]propyl]carbamate
PubChem CID118313872
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Namemethyl N-[3-[1-cyclohexyl-3-[(1S)-1-(cyclopropylamino)ethyl]pyrazol-5-yl]propyl]carbamate
SMILESCOC(=O)NCCCc1cc([C@H](C)NC2CC2)nn1C1CCCCC1
InChIInChI=1S/C19H32N4O2/c1-14(21-15-10-11-15)18-13-17(9-6-12-20-19(24)25-2)23(22-18)16-7-4-3-5-8-16/h13-16,21H,3-12H2,1-2H3,(H,20,24)/t14-/m0/s1
InChIKeyQZRNRJPPAFRONF-AWEZNQCLSA-N
XLogP3.49
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[1-cyclohexyl-3-[(1S)-1-(cyclopropylamino)ethyl]pyrazol-5-yl]propyl]carbamate?
The IUPAC name of methyl N-[3-[1-cyclohexyl-3-[(1S)-1-(cyclopropylamino)ethyl]pyrazol-5-yl]propyl]carbamate (CID 118313872) is methyl N-[3-[1-cyclohexyl-3-[(1S)-1-(cyclopropylamino)ethyl]pyrazol-5-yl]propyl]carbamate.
What is the SMILES notation for methyl N-[3-[1-cyclohexyl-3-[(1S)-1-(cyclopropylamino)ethyl]pyrazol-5-yl]propyl]carbamate?
The canonical SMILES for methyl N-[3-[1-cyclohexyl-3-[(1S)-1-(cyclopropylamino)ethyl]pyrazol-5-yl]propyl]carbamate is COC(=O)NCCCc1cc([C@H](C)NC2CC2)nn1C1CCCCC1.
What is the InChIKey of methyl N-[3-[1-cyclohexyl-3-[(1S)-1-(cyclopropylamino)ethyl]pyrazol-5-yl]propyl]carbamate?
The InChIKey is QZRNRJPPAFRONF-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-14(21-15-10-11-15)18-13-17(9-6-12-20-19(24)25-2)23(22-18)16-7-4-3-5-8-16/h13-16,21H,3-12H2,1-2H3,(H,20,24)/t14-/m0/s1.
What are the key properties of methyl N-[3-[1-cyclohexyl-3-[(1S)-1-(cyclopropylamino)ethyl]pyrazol-5-yl]propyl]carbamate?
methyl N-[3-[1-cyclohexyl-3-[(1S)-1-(cyclopropylamino)ethyl]pyrazol-5-yl]propyl]carbamate has a molecular weight of 348.49 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[1-cyclohexyl-3-[(1S)-1-(cyclopropylamino)ethyl]pyrazol-5-yl]propyl]carbamate is sourced from PubChem (CID 118313872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).