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

C13H19N5O — CID 43648109

IUPACN-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
SMILESCc1nnc(Cn2nc(C)c(CNC3CC3)c2C)o1
InChIInChI=1S/C13H19N5O/c1-8-12(6-14-11-4-5-11)9(2)18(17-8)7-13-16-15-10(3)19-13/h11,14H,4-7H2,1-3H3
InChIKeyUVOFXLRFRAFATC-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.49
Rot. Bonds5

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

N-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 43648109) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
PubChem CID43648109
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
SMILESCc1nnc(Cn2nc(C)c(CNC3CC3)c2C)o1
InChIInChI=1S/C13H19N5O/c1-8-12(6-14-11-4-5-11)9(2)18(17-8)7-13-16-15-10(3)19-13/h11,14H,4-7H2,1-3H3
InChIKeyUVOFXLRFRAFATC-UHFFFAOYSA-N
XLogP1.49
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine (CID 43648109) is N-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine is Cc1nnc(Cn2nc(C)c(CNC3CC3)c2C)o1.
What is the InChIKey of N-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is UVOFXLRFRAFATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-8-12(6-14-11-4-5-11)9(2)18(17-8)7-13-16-15-10(3)19-13/h11,14H,4-7H2,1-3H3.
What are the key properties of N-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine?
N-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 261.33 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 43648109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).