1-methyl-N-[(R)-phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-3-amine

C19H17N5O — CID 97075709

IUPAC1-methyl-N-[(R)-phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-3-amine
SMILESCn1ccc(N[C@H](c2ccccc2)c2nc(-c3ccccc3)no2)n1
InChIInChI=1S/C19H17N5O/c1-24-13-12-16(22-24)20-17(14-8-4-2-5-9-14)19-21-18(23-25-19)15-10-6-3-7-11-15/h2-13,17H,1H3,(H,20,22)/t17-/m1/s1
InChIKeyAYKMDVNZDIPMMV-QGZVFWFLSA-N
MW331.38 g/mol
LogP3.67
Rot. Bonds5

About 1-methyl-N-[(R)-phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-3-amine

1-methyl-N-[(R)-phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-3-amine (PubChem CID 97075709) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 1-methyl-N-[(R)-phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-[(R)-phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-3-amine
PubChem CID97075709
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name1-methyl-N-[(R)-phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-3-amine
SMILESCn1ccc(N[C@H](c2ccccc2)c2nc(-c3ccccc3)no2)n1
InChIInChI=1S/C19H17N5O/c1-24-13-12-16(22-24)20-17(14-8-4-2-5-9-14)19-21-18(23-25-19)15-10-6-3-7-11-15/h2-13,17H,1H3,(H,20,22)/t17-/m1/s1
InChIKeyAYKMDVNZDIPMMV-QGZVFWFLSA-N
XLogP3.67
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(R)-phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-3-amine?
The IUPAC name of 1-methyl-N-[(R)-phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-3-amine (CID 97075709) is 1-methyl-N-[(R)-phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-methyl-N-[(R)-phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-methyl-N-[(R)-phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-3-amine is Cn1ccc(N[C@H](c2ccccc2)c2nc(-c3ccccc3)no2)n1.
What is the InChIKey of 1-methyl-N-[(R)-phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-3-amine?
The InChIKey is AYKMDVNZDIPMMV-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H17N5O/c1-24-13-12-16(22-24)20-17(14-8-4-2-5-9-14)19-21-18(23-25-19)15-10-6-3-7-11-15/h2-13,17H,1H3,(H,20,22)/t17-/m1/s1.
What are the key properties of 1-methyl-N-[(R)-phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-3-amine?
1-methyl-N-[(R)-phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-3-amine has a molecular weight of 331.38 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(R)-phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 97075709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).