N-methyl-1-(1-phenylpyrazol-4-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine

C19H18N6O — CID 56888809

IUPACN-methyl-1-(1-phenylpyrazol-4-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCN(Cc1cnn(-c2ccccc2)c1)Cc1nc(-c2cccnc2)no1
InChIInChI=1S/C19H18N6O/c1-24(12-15-10-21-25(13-15)17-7-3-2-4-8-17)14-18-22-19(23-26-18)16-6-5-9-20-11-16/h2-11,13H,12,14H2,1H3
InChIKeyLJSQSQSBJRPSOK-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.95
Rot. Bonds6

About N-methyl-1-(1-phenylpyrazol-4-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine

N-methyl-1-(1-phenylpyrazol-4-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine (PubChem CID 56888809) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is N-methyl-1-(1-phenylpyrazol-4-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-phenylpyrazol-4-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
PubChem CID56888809
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC NameN-methyl-1-(1-phenylpyrazol-4-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCN(Cc1cnn(-c2ccccc2)c1)Cc1nc(-c2cccnc2)no1
InChIInChI=1S/C19H18N6O/c1-24(12-15-10-21-25(13-15)17-7-3-2-4-8-17)14-18-22-19(23-26-18)16-6-5-9-20-11-16/h2-11,13H,12,14H2,1H3
InChIKeyLJSQSQSBJRPSOK-UHFFFAOYSA-N
XLogP2.95
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 8962000
4-[[methyl-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one
CID 118779674
1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 28955690
N-methyl-1-phenyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide
CID 71977773
N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 51223980
1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 51310511
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(4-pyridin-3-ylphenyl)methanamine
CID 131904242
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 27101616
1-(3,4-dichlorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 9251541
(1S)-1-(2-chlorophenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 94421822
1-(1,3-benzodioxol-5-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 8924238
1-(1,3-diphenylpyrazol-4-yl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 37254069

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-phenylpyrazol-4-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(1-phenylpyrazol-4-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine (CID 56888809) is N-methyl-1-(1-phenylpyrazol-4-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(1-phenylpyrazol-4-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(1-phenylpyrazol-4-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine is CN(Cc1cnn(-c2ccccc2)c1)Cc1nc(-c2cccnc2)no1.
What is the InChIKey of N-methyl-1-(1-phenylpyrazol-4-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The InChIKey is LJSQSQSBJRPSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-24(12-15-10-21-25(13-15)17-7-3-2-4-8-17)14-18-22-19(23-26-18)16-6-5-9-20-11-16/h2-11,13H,12,14H2,1H3.
What are the key properties of N-methyl-1-(1-phenylpyrazol-4-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
N-methyl-1-(1-phenylpyrazol-4-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine has a molecular weight of 346.39 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-phenylpyrazol-4-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 56888809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).