methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-1-ethylpyrazol-5-yl]propyl]carbamate

C15H26N4O2 — CID 118313458

IUPACmethyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-1-ethylpyrazol-5-yl]propyl]carbamate
SMILESCCn1nc([C@@H](C)NC2CC2)cc1CCCNC(=O)OC
InChIInChI=1S/C15H26N4O2/c1-4-19-13(6-5-9-16-15(20)21-3)10-14(18-19)11(2)17-12-7-8-12/h10-12,17H,4-9H2,1-3H3,(H,16,20)/t11-/m1/s1
InChIKeyZZHBBYARPFQLPO-LLVKDONJSA-N
MW294.40 g/mol
LogP2.00
Rot. Bonds8

About methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-1-ethylpyrazol-5-yl]propyl]carbamate

methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-1-ethylpyrazol-5-yl]propyl]carbamate (PubChem CID 118313458) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-1-ethylpyrazol-5-yl]propyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-1-ethylpyrazol-5-yl]propyl]carbamate
PubChem CID118313458
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Namemethyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-1-ethylpyrazol-5-yl]propyl]carbamate
SMILESCCn1nc([C@@H](C)NC2CC2)cc1CCCNC(=O)OC
InChIInChI=1S/C15H26N4O2/c1-4-19-13(6-5-9-16-15(20)21-3)10-14(18-19)11(2)17-12-7-8-12/h10-12,17H,4-9H2,1-3H3,(H,16,20)/t11-/m1/s1
InChIKeyZZHBBYARPFQLPO-LLVKDONJSA-N
XLogP2.00
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.00
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-[3-[(1R)-1-(cyclopropylamino)ethyl]-1-ethylpyrazol-5-yl]propyl]carbamate?
The IUPAC name of methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-1-ethylpyrazol-5-yl]propyl]carbamate (CID 118313458) is methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-1-ethylpyrazol-5-yl]propyl]carbamate.
What is the SMILES notation for methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-1-ethylpyrazol-5-yl]propyl]carbamate?
The canonical SMILES for methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-1-ethylpyrazol-5-yl]propyl]carbamate is CCn1nc([C@@H](C)NC2CC2)cc1CCCNC(=O)OC.
What is the InChIKey of methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-1-ethylpyrazol-5-yl]propyl]carbamate?
The InChIKey is ZZHBBYARPFQLPO-LLVKDONJSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-4-19-13(6-5-9-16-15(20)21-3)10-14(18-19)11(2)17-12-7-8-12/h10-12,17H,4-9H2,1-3H3,(H,16,20)/t11-/m1/s1.
What are the key properties of methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-1-ethylpyrazol-5-yl]propyl]carbamate?
methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-1-ethylpyrazol-5-yl]propyl]carbamate has a molecular weight of 294.40 g/mol, XLogP of 2.00, 8 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]-1-ethylpyrazol-5-yl]propyl]carbamate is sourced from PubChem (CID 118313458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).