5-(3-butyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-3-amine

C9H13N5O — CID 79404984

IUPAC5-(3-butyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-3-amine
SMILESCCCCc1noc(-c2cc(N)n[nH]2)n1
InChIInChI=1S/C9H13N5O/c1-2-3-4-8-11-9(15-14-8)6-5-7(10)13-12-6/h5H,2-4H2,1H3,(H3,10,12,13)
InChIKeyUXGKZATYUYWXNC-UHFFFAOYSA-N
MW207.24 g/mol
LogP1.38
Rot. Bonds4

About 5-(3-butyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-3-amine

5-(3-butyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-3-amine (PubChem CID 79404984) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 5-(3-butyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-butyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-3-amine
PubChem CID79404984
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name5-(3-butyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-3-amine
SMILESCCCCc1noc(-c2cc(N)n[nH]2)n1
InChIInChI=1S/C9H13N5O/c1-2-3-4-8-11-9(15-14-8)6-5-7(10)13-12-6/h5H,2-4H2,1H3,(H3,10,12,13)
InChIKeyUXGKZATYUYWXNC-UHFFFAOYSA-N
XLogP1.38
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(cyclohexen-1-yl)propan-2-yl]-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 128114072
5-(5-methyl-1H-pyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole
CID 137990600
3-(1-methyl-3-methylidenecyclobutyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 138030313
4-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 123533082
3-(4-Nitro-1,2,5-oxadiazol-3-yl)-5-(3-nitro-1h-pyrazol5-yl)-1,2,4-oxadiazole
CID 166001611
1-[2-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]ethyl]pyrrolidin-2-one
CID 28465298
5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 64527704
5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 79954198
5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 82008729
5-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 103146117
5-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 103146409
5-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 103472991

Frequently Asked Questions

What is the IUPAC name of 5-(3-butyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-butyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-3-amine (CID 79404984) is 5-(3-butyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-butyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-butyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-3-amine is CCCCc1noc(-c2cc(N)n[nH]2)n1.
What is the InChIKey of 5-(3-butyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-3-amine?
The InChIKey is UXGKZATYUYWXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-2-3-4-8-11-9(15-14-8)6-5-7(10)13-12-6/h5H,2-4H2,1H3,(H3,10,12,13).
What are the key properties of 5-(3-butyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-3-amine?
5-(3-butyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-3-amine has a molecular weight of 207.24 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-butyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 79404984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).