3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine

C18H22FN5O — CID 95139304

IUPAC3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
SMILESCc1noc([C@@H](C)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)n1
InChIInChI=1S/C18H22FN5O/c1-12(18-20-13(2)23-25-18)24(3)10-4-5-16-11-17(22-21-16)14-6-8-15(19)9-7-14/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,22)/t12-/m1/s1
InChIKeyDZTUJTJYRBQXFP-GFCCVEGCSA-N
MW343.41 g/mol
LogP3.53
Rot. Bonds7

About 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine

3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine (PubChem CID 95139304) has the molecular formula C18H22FN5O and a molecular weight of 343.41 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
PubChem CID95139304
Molecular FormulaC18H22FN5O
Molecular Weight343.41 g/mol
Exact Mass343.18
IUPAC Name3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
SMILESCc1noc([C@@H](C)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)n1
InChIInChI=1S/C18H22FN5O/c1-12(18-20-13(2)23-25-18)24(3)10-4-5-16-11-17(22-21-16)14-6-8-15(19)9-7-14/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,22)/t12-/m1/s1
InChIKeyDZTUJTJYRBQXFP-GFCCVEGCSA-N
XLogP3.53
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine
CID 56571124
3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propan-1-amine
CID 56571224
N-(3-cyanophenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide
CID 56539527
N-(diethylsulfamoyl)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine
CID 86998729
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylcyclohex-2-en-1-amine
CID 56574718
N-(benzylcarbamoyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide
CID 56539419
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(4-methylphenyl)propanamide
CID 55766895
N-[2-(difluoromethoxy)phenyl]-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide
CID 56539774
3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 86900477
(1R)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenoxyethyl)ethanamine
CID 95155397
2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-[(3-methoxyphenyl)methyl]propanamide
CID 56571156
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyloxane-4-carboxamide
CID 86998711

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine (CID 95139304) is 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine is Cc1noc([C@@H](C)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)n1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is DZTUJTJYRBQXFP-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H22FN5O/c1-12(18-20-13(2)23-25-18)24(3)10-4-5-16-11-17(22-21-16)14-6-8-15(19)9-7-14/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,22)/t12-/m1/s1.
What are the key properties of 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine?
3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine has a molecular weight of 343.41 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 95139304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).