N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanamine

C21H29FN4O2 — CID 126814491

IUPACN-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanamine
SMILESCCOC1CC(CNCc2cn[nH]c2-c2ccccc2F)(N2CCOCC2)C1
InChIInChI=1S/C21H29FN4O2/c1-2-28-17-11-21(12-17,26-7-9-27-10-8-26)15-23-13-16-14-24-25-20(16)18-5-3-4-6-19(18)22/h3-6,14,17,23H,2,7-13,15H2,1H3,(H,24,25)
InChIKeyDYCBTOLWWDPTLH-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.58
Rot. Bonds8

About N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanamine

N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanamine (PubChem CID 126814491) has the molecular formula C21H29FN4O2 and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanamine.

Molecular Properties

Compound NameN-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanamine
PubChem CID126814491
Molecular FormulaC21H29FN4O2
Molecular Weight388.49 g/mol
Exact Mass388.23
IUPAC NameN-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanamine
SMILESCCOC1CC(CNCc2cn[nH]c2-c2ccccc2F)(N2CCOCC2)C1
InChIInChI=1S/C21H29FN4O2/c1-2-28-17-11-21(12-17,26-7-9-27-10-8-26)15-23-13-16-14-24-25-20(16)18-5-3-4-6-19(18)22/h3-6,14,17,23H,2,7-13,15H2,1H3,(H,24,25)
InChIKeyDYCBTOLWWDPTLH-UHFFFAOYSA-N
XLogP2.58
TPSA62.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanamine 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 N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanamine?
The IUPAC name of N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanamine (CID 126814491) is N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanamine.
What is the SMILES notation for N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanamine?
The canonical SMILES for N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanamine is CCOC1CC(CNCc2cn[nH]c2-c2ccccc2F)(N2CCOCC2)C1.
What is the InChIKey of N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanamine?
The InChIKey is DYCBTOLWWDPTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN4O2/c1-2-28-17-11-21(12-17,26-7-9-27-10-8-26)15-23-13-16-14-24-25-20(16)18-5-3-4-6-19(18)22/h3-6,14,17,23H,2,7-13,15H2,1H3,(H,24,25).
What are the key properties of N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanamine?
N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanamine has a molecular weight of 388.49 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanamine is sourced from PubChem (CID 126814491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).