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

C19H22FN5O — CID 46994302

IUPACN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylmethanamine
SMILESCN(Cc1noc(C2CCCC2)n1)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C19H22FN5O/c1-25(12-17-22-19(26-24-17)14-4-2-3-5-14)11-15-10-21-23-18(15)13-6-8-16(20)9-7-13/h6-10,14H,2-5,11-12H2,1H3,(H,21,23)
InChIKeyLTWYRXSMTWSQTI-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.89
Rot. Bonds6

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

N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylmethanamine (PubChem CID 46994302) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylmethanamine
PubChem CID46994302
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC NameN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylmethanamine
SMILESCN(Cc1noc(C2CCCC2)n1)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C19H22FN5O/c1-25(12-17-22-19(26-24-17)14-4-2-3-5-14)11-15-10-21-23-18(15)13-6-8-16(20)9-7-13/h6-10,14H,2-5,11-12H2,1H3,(H,21,23)
InChIKeyLTWYRXSMTWSQTI-UHFFFAOYSA-N
XLogP3.89
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylmethanamine (CID 46994302) is N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylmethanamine is CN(Cc1noc(C2CCCC2)n1)Cc1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylmethanamine?
The InChIKey is LTWYRXSMTWSQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O/c1-25(12-17-22-19(26-24-17)14-4-2-3-5-14)11-15-10-21-23-18(15)13-6-8-16(20)9-7-13/h6-10,14H,2-5,11-12H2,1H3,(H,21,23).
What are the key properties of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylmethanamine?
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylmethanamine has a molecular weight of 355.42 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 46994302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).