methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate

C18H30N4O3 — CID 118313882

IUPACmethyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate
SMILESCOC(=O)NCCCc1cc([C@@H](C)NC2CC2)nn1C1CCOCC1
InChIInChI=1S/C18H30N4O3/c1-13(20-14-5-6-14)17-12-16(4-3-9-19-18(23)24-2)22(21-17)15-7-10-25-11-8-15/h12-15,20H,3-11H2,1-2H3,(H,19,23)/t13-/m1/s1
InChIKeyABNUGNQFGKAQIT-CYBMUJFWSA-N
MW350.46 g/mol
LogP2.34
Rot. Bonds8

About methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate

methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate (PubChem CID 118313882) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate
PubChem CID118313882
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Namemethyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate
SMILESCOC(=O)NCCCc1cc([C@@H](C)NC2CC2)nn1C1CCOCC1
InChIInChI=1S/C18H30N4O3/c1-13(20-14-5-6-14)17-12-16(4-3-9-19-18(23)24-2)22(21-17)15-7-10-25-11-8-15/h12-15,20H,3-11H2,1-2H3,(H,19,23)/t13-/m1/s1
InChIKeyABNUGNQFGKAQIT-CYBMUJFWSA-N
XLogP2.34
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate?
The IUPAC name of methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate (CID 118313882) is methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate.
What is the SMILES notation for methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate?
The canonical SMILES for methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate is COC(=O)NCCCc1cc([C@@H](C)NC2CC2)nn1C1CCOCC1.
What is the InChIKey of methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate?
The InChIKey is ABNUGNQFGKAQIT-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-13(20-14-5-6-14)17-12-16(4-3-9-19-18(23)24-2)22(21-17)15-7-10-25-11-8-15/h12-15,20H,3-11H2,1-2H3,(H,19,23)/t13-/m1/s1.
What are the key properties of methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate?
methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate has a molecular weight of 350.46 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate is sourced from PubChem (CID 118313882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).