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

C13H19N5O — CID 77078989

IUPACN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylmethanamine
SMILESCc1n[nH]c(C)c1CN(C)Cc1noc(C2CC2)n1
InChIInChI=1S/C13H19N5O/c1-8-11(9(2)16-15-8)6-18(3)7-12-14-13(19-17-12)10-4-5-10/h10H,4-7H2,1-3H3,(H,15,16)
InChIKeyGAZDBGICNZKNDG-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.92
Rot. Bonds5

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

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylmethanamine (PubChem CID 77078989) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylmethanamine
PubChem CID77078989
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylmethanamine
SMILESCc1n[nH]c(C)c1CN(C)Cc1noc(C2CC2)n1
InChIInChI=1S/C13H19N5O/c1-8-11(9(2)16-15-8)6-18(3)7-12-14-13(19-17-12)10-4-5-10/h10H,4-7H2,1-3H3,(H,15,16)
InChIKeyGAZDBGICNZKNDG-UHFFFAOYSA-N
XLogP1.92
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylmethanamine?
The IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylmethanamine (CID 77078989) is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylmethanamine?
The canonical SMILES for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylmethanamine is Cc1n[nH]c(C)c1CN(C)Cc1noc(C2CC2)n1.
What is the InChIKey of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylmethanamine?
The InChIKey is GAZDBGICNZKNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-8-11(9(2)16-15-8)6-18(3)7-12-14-13(19-17-12)10-4-5-10/h10H,4-7H2,1-3H3,(H,15,16).
What are the key properties of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylmethanamine?
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylmethanamine has a molecular weight of 261.33 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 77078989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).