N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine

C19H24FN5O — CID 46984703

IUPACN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
SMILESCCN(Cc1noc(CC(C)C)n1)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C19H24FN5O/c1-4-25(12-17-22-18(26-24-17)9-13(2)3)11-15-10-21-23-19(15)14-5-7-16(20)8-6-14/h5-8,10,13H,4,9,11-12H2,1-3H3,(H,21,23)
InChIKeyNGCCBJWCCAVPON-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.82
Rot. Bonds8

About N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine

N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine (PubChem CID 46984703) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
PubChem CID46984703
Molecular FormulaC19H24FN5O
Molecular Weight357.43 g/mol
Exact Mass357.20
IUPAC NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
SMILESCCN(Cc1noc(CC(C)C)n1)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C19H24FN5O/c1-4-25(12-17-22-18(26-24-17)9-13(2)3)11-15-10-21-23-19(15)14-5-7-16(20)8-6-14/h5-8,10,13H,4,9,11-12H2,1-3H3,(H,21,23)
InChIKeyNGCCBJWCCAVPON-UHFFFAOYSA-N
XLogP3.82
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

5-(4-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazole
CID 59743851
N-[(2,4-difluoro-3-methoxyphenyl)methyl]-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 50962079
1-methyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-[(5-phenyl-1H-pyrazol-4-yl)methyl]urea
CID 119062779
4-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-N-methylbenzenesulfonamide
CID 46988904
[2-ethoxy-5-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]phenyl]methanol
CID 46985013
1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 50975857
N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(piperidin-2-ylmethyl)ethanamine
CID 106632738
methyl 6-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]pyridine-2-carboxylate
CID 46996051
3-[3-[ethyl(methyl)amino]butyl]-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-methylurea
CID 122569685
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethanamine
CID 171906462
2-(4-fluorophenoxy)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 134018560
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(5-bromo-2-fluorophenyl)methyl]ethanamine;hydrochloride
CID 120751584

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine (CID 46984703) is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine is CCN(Cc1noc(CC(C)C)n1)Cc1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
The InChIKey is NGCCBJWCCAVPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O/c1-4-25(12-17-22-18(26-24-17)9-13(2)3)11-15-10-21-23-19(15)14-5-7-16(20)8-6-14/h5-8,10,13H,4,9,11-12H2,1-3H3,(H,21,23).
What are the key properties of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine has a molecular weight of 357.43 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 46984703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).