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

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Related Compounds

N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 99844458
1-(5,5-dimethyloxolan-2-yl)-N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 126788095
4-[3-ethoxy-1-[(sulfamoylamino)methyl]cyclobutyl]morpholine
CID 154736041
N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-methylpyrrole-3-carboxamide
CID 136536686
N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 167821422
chlorobenzene;3-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methylamino]propanamide
CID 171540298
N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2,5-dimethylpyrazol-3-amine
CID 75382057
N-[(4-methyloxan-4-yl)methyl]-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine
CID 103743549
N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 75496081
N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 79485564
2-morpholin-4-yl-N-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]-2-pyridin-2-ylethanamine
CID 45220015
N-[[5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 79485484

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).