N-[(1-methylpyrazol-4-yl)methyl]-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine

C15H21N5O2 — CID 91839949

IUPACN-[(1-methylpyrazol-4-yl)methyl]-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
SMILESCn1cc(CN(Cc2noc(C3CCCO3)n2)C2CC2)cn1
InChIInChI=1S/C15H21N5O2/c1-19-8-11(7-16-19)9-20(12-4-5-12)10-14-17-15(22-18-14)13-3-2-6-21-13/h7-8,12-13H,2-6,9-10H2,1H3
InChIKeyNYBVEWBPUXYJNA-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.82
Rot. Bonds6

About N-[(1-methylpyrazol-4-yl)methyl]-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine

N-[(1-methylpyrazol-4-yl)methyl]-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine (PubChem CID 91839949) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
PubChem CID91839949
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
SMILESCn1cc(CN(Cc2noc(C3CCCO3)n2)C2CC2)cn1
InChIInChI=1S/C15H21N5O2/c1-19-8-11(7-16-19)9-20(12-4-5-12)10-14-17-15(22-18-14)13-3-2-6-21-13/h7-8,12-13H,2-6,9-10H2,1H3
InChIKeyNYBVEWBPUXYJNA-UHFFFAOYSA-N
XLogP1.82
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(1-methylpyrazol-4-yl)methyl]-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

4-[(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 53565426
4-(3-Methyl-1,2,4-oxadiazol-5-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]butan-1-one
CID 56779404
1-{4,4-Difluoro-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-YL]-1-pyrrolidinyl}-3-(4-methyl-1H-pyrazol-1-YL)-1-propanone
CID 124050811
1-{4,4-Difluoro-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-YL]pyrrolidin-1-YL}-2-(4-methyl-1H-pyrazol-1-YL)ethan-1-one
CID 124050812
4-[5-[(2R,5S)-5-[(dimethylamino)methyl]oxolan-2-yl]-1,2,4-oxadiazol-3-yl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
CID 167762960
3-[1-(2-Fluoroethyl)pyrazol-4-yl]-5-[(1-methylpiperidin-4-yl)oxymethyl]-1,2,4-oxadiazole
CID 167781613
3-Cyclopropyl-5-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole
CID 71687033
3-Methyl-5-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 73440174
4-[2-(1H-pyrazol-1-yl)ethyl]-1-{[5-(tetrahydrofuran-2-yl)-1,2,4-oxadiazol-3-yl]methyl}piperidine
CID 91840149
(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl {1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-piperidyl} ether
CID 91927459
N-(1-cyclopentyl-4-methyl-1H-pyrazol-5-yl)-N'-{2-[5-(tetrahydrofuran-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}urea
CID 74249924
[5-[3-(1-Methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine
CID 80007024

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine (CID 91839949) is N-[(1-methylpyrazol-4-yl)methyl]-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine is Cn1cc(CN(Cc2noc(C3CCCO3)n2)C2CC2)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine?
The InChIKey is NYBVEWBPUXYJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-19-8-11(7-16-19)9-20(12-4-5-12)10-14-17-15(22-18-14)13-3-2-6-21-13/h7-8,12-13H,2-6,9-10H2,1H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine?
N-[(1-methylpyrazol-4-yl)methyl]-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine has a molecular weight of 303.37 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 91839949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).