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

C9H13N5O — CID 63078756

IUPACN-[[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nnc(-c2ccn[nH]2)o1
InChIInChI=1S/C9H13N5O/c1-6(2)10-5-8-13-14-9(15-8)7-3-4-11-12-7/h3-4,6,10H,5H2,1-2H3,(H,11,12)
InChIKeyAMYHUPKFUXVBNH-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.96
Rot. Bonds4

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

N-[[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (PubChem CID 63078756) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is N-[[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
PubChem CID63078756
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC NameN-[[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nnc(-c2ccn[nH]2)o1
InChIInChI=1S/C9H13N5O/c1-6(2)10-5-8-13-14-9(15-8)7-3-4-11-12-7/h3-4,6,10H,5H2,1-2H3,(H,11,12)
InChIKeyAMYHUPKFUXVBNH-UHFFFAOYSA-N
XLogP0.96
TPSA79.63 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 ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrazolyl-1,3,4-oxadiazole
CID 15620725
2-methyl-5-(1H-pyrazol-5-yl)-1,3,4-oxadiazole
CID 133683225
Bispyrazolyl-1,3,4-oxadiazole
CID 166001541
2-(difluoromethyl)-5-(1H-pyrazol-5-yl)-1,3,4-oxadiazole
CID 133633665
2-Methyl-5-(2-methylpyrazol-3-yl)-1,3,4-oxadiazole
CID 130741775
2-(2-Methylpyrazol-3-yl)-5-propan-2-yl-1,3,4-oxadiazole
CID 169163448
2-propan-2-yl-5-(1H-pyrazol-5-yl)-1,3,4-oxadiazole
CID 169163461
2-hexan-3-yl-5-(1H-pyrazol-5-yl)-1,3,4-oxadiazole
CID 170382959
5-(1H-pyrazol-5-yl)-1,3,4-oxadiazole-2-carbothialdehyde
CID 174923688
2-deuterio-5-(1H-pyrazol-5-yl)-1,3,4-oxadiazole
CID 176371917
N-propyl-3-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 55180381
N-[3-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 55180382

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (CID 63078756) is N-[[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is CC(C)NCc1nnc(-c2ccn[nH]2)o1.
What is the InChIKey of N-[[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The InChIKey is AMYHUPKFUXVBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-6(2)10-5-8-13-14-9(15-8)7-3-4-11-12-7/h3-4,6,10H,5H2,1-2H3,(H,11,12).
What are the key properties of N-[[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
N-[[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine has a molecular weight of 207.24 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 63078756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).