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

C15H23N5O — CID 61495486

IUPACN-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
SMILESCc1nn(Cc2noc(C3CC3)n2)c(C)c1CNC(C)C
InChIInChI=1S/C15H23N5O/c1-9(2)16-7-13-10(3)18-20(11(13)4)8-14-17-15(21-19-14)12-5-6-12/h9,12,16H,5-8H2,1-4H3
InChIKeyZXELWNVPFGLVNF-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.31
Rot. Bonds6

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

N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine (PubChem CID 61495486) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
PubChem CID61495486
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
SMILESCc1nn(Cc2noc(C3CC3)n2)c(C)c1CNC(C)C
InChIInChI=1S/C15H23N5O/c1-9(2)16-7-13-10(3)18-20(11(13)4)8-14-17-15(21-19-14)12-5-6-12/h9,12,16H,5-8H2,1-4H3
InChIKeyZXELWNVPFGLVNF-UHFFFAOYSA-N
XLogP2.31
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine with MolForge

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Related Compounds

3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-cyclopropyl-1,2,4-oxadiazole
CID 62129263
N-[[3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 43648009
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine
CID 62343969
N-[[3,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazol-4-yl]methyl]propan-2-amine
CID 43648011
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-one
CID 99836476
N-[[3,5-dimethyl-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine
CID 61496901
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propan-2-amine;hydrochloride
CID 75530696
N-[[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 80693701
(2R)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
CID 95197767
N-[[1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43647937
(2S,3R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine
CID 95302392
N-[[3,5-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 102877955

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine (CID 61495486) is N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine is Cc1nn(Cc2noc(C3CC3)n2)c(C)c1CNC(C)C.
What is the InChIKey of N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is ZXELWNVPFGLVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-9(2)16-7-13-10(3)18-20(11(13)4)8-14-17-15(21-19-14)12-5-6-12/h9,12,16H,5-8H2,1-4H3.
What are the key properties of N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine?
N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 289.38 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 61495486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).