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

C18H29FN4O3 — CID 118313498

IUPACmethyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4-fluoro-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate
SMILESCOC(=O)NCCCn1nc([C@@H](C)NC2CC2)c(F)c1C1CCOCC1
InChIInChI=1S/C18H29FN4O3/c1-12(21-14-4-5-14)16-15(19)17(13-6-10-26-11-7-13)23(22-16)9-3-8-20-18(24)25-2/h12-14,21H,3-11H2,1-2H3,(H,20,24)/t12-/m1/s1
InChIKeyUUHNBUGSTVWFEN-GFCCVEGCSA-N
MW368.45 g/mol
LogP2.48
Rot. Bonds8

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

methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4-fluoro-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate (PubChem CID 118313498) has the molecular formula C18H29FN4O3 and a molecular weight of 368.45 g/mol. Its IUPAC name is methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4-fluoro-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4-fluoro-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate
PubChem CID118313498
Molecular FormulaC18H29FN4O3
Molecular Weight368.45 g/mol
Exact Mass368.22
IUPAC Namemethyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4-fluoro-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate
SMILESCOC(=O)NCCCn1nc([C@@H](C)NC2CC2)c(F)c1C1CCOCC1
InChIInChI=1S/C18H29FN4O3/c1-12(21-14-4-5-14)16-15(19)17(13-6-10-26-11-7-13)23(22-16)9-3-8-20-18(24)25-2/h12-14,21H,3-11H2,1-2H3,(H,20,24)/t12-/m1/s1
InChIKeyUUHNBUGSTVWFEN-GFCCVEGCSA-N
XLogP2.48
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 52.48
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]-4-fluoro-5-(oxan-4-yl)pyrazol-1-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]-4-fluoro-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate?
The IUPAC name of methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4-fluoro-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate (CID 118313498) is methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4-fluoro-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate.
What is the SMILES notation for methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4-fluoro-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate?
The canonical SMILES for methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4-fluoro-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate is COC(=O)NCCCn1nc([C@@H](C)NC2CC2)c(F)c1C1CCOCC1.
What is the InChIKey of methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4-fluoro-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate?
The InChIKey is UUHNBUGSTVWFEN-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H29FN4O3/c1-12(21-14-4-5-14)16-15(19)17(13-6-10-26-11-7-13)23(22-16)9-3-8-20-18(24)25-2/h12-14,21H,3-11H2,1-2H3,(H,20,24)/t12-/m1/s1.
What are the key properties of methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4-fluoro-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate?
methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4-fluoro-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate has a molecular weight of 368.45 g/mol, XLogP of 2.48, 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]-4-fluoro-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate is sourced from PubChem (CID 118313498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).