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

C18H19N7O — CID 97455217

IUPAC5-methyl-2-[4-[5-[(1S)-1-pyrazol-1-ylpropyl]-1,2,4-oxadiazol-3-yl]phenyl]pyrazol-3-amine
SMILESCC[C@@H](c1nc(-c2ccc(-n3nc(C)cc3N)cc2)no1)n1cccn1
InChIInChI=1S/C18H19N7O/c1-3-15(24-10-4-9-20-24)18-21-17(23-26-18)13-5-7-14(8-6-13)25-16(19)11-12(2)22-25/h4-11,15H,3,19H2,1-2H3/t15-/m0/s1
InChIKeyQACFDABLAIOMIA-HNNXBMFYSA-N
MW349.40 g/mol
LogP3.01
Rot. Bonds5

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

5-methyl-2-[4-[5-[(1S)-1-pyrazol-1-ylpropyl]-1,2,4-oxadiazol-3-yl]phenyl]pyrazol-3-amine (PubChem CID 97455217) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is 5-methyl-2-[4-[5-[(1S)-1-pyrazol-1-ylpropyl]-1,2,4-oxadiazol-3-yl]phenyl]pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-2-[4-[5-[(1S)-1-pyrazol-1-ylpropyl]-1,2,4-oxadiazol-3-yl]phenyl]pyrazol-3-amine
PubChem CID97455217
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name5-methyl-2-[4-[5-[(1S)-1-pyrazol-1-ylpropyl]-1,2,4-oxadiazol-3-yl]phenyl]pyrazol-3-amine
SMILESCC[C@@H](c1nc(-c2ccc(-n3nc(C)cc3N)cc2)no1)n1cccn1
InChIInChI=1S/C18H19N7O/c1-3-15(24-10-4-9-20-24)18-21-17(23-26-18)13-5-7-14(8-6-13)25-16(19)11-12(2)22-25/h4-11,15H,3,19H2,1-2H3/t15-/m0/s1
InChIKeyQACFDABLAIOMIA-HNNXBMFYSA-N
XLogP3.01
TPSA100.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-methyl-2-[4-[5-[(1S)-1-pyrazol-1-ylpropyl]-1,2,4-oxadiazol-3-yl]phenyl]pyrazol-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-[5-[(1S)-1-pyrazol-1-ylpropyl]-1,2,4-oxadiazol-3-yl]phenyl]pyrazol-3-amine?
The IUPAC name of 5-methyl-2-[4-[5-[(1S)-1-pyrazol-1-ylpropyl]-1,2,4-oxadiazol-3-yl]phenyl]pyrazol-3-amine (CID 97455217) is 5-methyl-2-[4-[5-[(1S)-1-pyrazol-1-ylpropyl]-1,2,4-oxadiazol-3-yl]phenyl]pyrazol-3-amine.
What is the SMILES notation for 5-methyl-2-[4-[5-[(1S)-1-pyrazol-1-ylpropyl]-1,2,4-oxadiazol-3-yl]phenyl]pyrazol-3-amine?
The canonical SMILES for 5-methyl-2-[4-[5-[(1S)-1-pyrazol-1-ylpropyl]-1,2,4-oxadiazol-3-yl]phenyl]pyrazol-3-amine is CC[C@@H](c1nc(-c2ccc(-n3nc(C)cc3N)cc2)no1)n1cccn1.
What is the InChIKey of 5-methyl-2-[4-[5-[(1S)-1-pyrazol-1-ylpropyl]-1,2,4-oxadiazol-3-yl]phenyl]pyrazol-3-amine?
The InChIKey is QACFDABLAIOMIA-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19N7O/c1-3-15(24-10-4-9-20-24)18-21-17(23-26-18)13-5-7-14(8-6-13)25-16(19)11-12(2)22-25/h4-11,15H,3,19H2,1-2H3/t15-/m0/s1.
What are the key properties of 5-methyl-2-[4-[5-[(1S)-1-pyrazol-1-ylpropyl]-1,2,4-oxadiazol-3-yl]phenyl]pyrazol-3-amine?
5-methyl-2-[4-[5-[(1S)-1-pyrazol-1-ylpropyl]-1,2,4-oxadiazol-3-yl]phenyl]pyrazol-3-amine has a molecular weight of 349.40 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-[5-[(1S)-1-pyrazol-1-ylpropyl]-1,2,4-oxadiazol-3-yl]phenyl]pyrazol-3-amine is sourced from PubChem (CID 97455217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).