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

C12H17N5O — CID 43648107

IUPACN-[[3,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESCc1nn(Cc2ncon2)c(C)c1CNC1CC1
InChIInChI=1S/C12H17N5O/c1-8-11(5-13-10-3-4-10)9(2)17(15-8)6-12-14-7-18-16-12/h7,10,13H,3-6H2,1-2H3
InChIKeySZVXJNKBJUMHGJ-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.18
Rot. Bonds5

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

N-[[3,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 43648107) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[[3,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine
PubChem CID43648107
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-[[3,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESCc1nn(Cc2ncon2)c(C)c1CNC1CC1
InChIInChI=1S/C12H17N5O/c1-8-11(5-13-10-3-4-10)9(2)17(15-8)6-12-14-7-18-16-12/h7,10,13H,3-6H2,1-2H3
InChIKeySZVXJNKBJUMHGJ-UHFFFAOYSA-N
XLogP1.18
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 75498183
(1R)-2,2,2-trifluoro-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 97098990
[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 43559996
2,2,2-trifluoro-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 71914308
1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 75477490
(1S)-2,2,2-trifluoro-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 97098989
(1R)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 97353389
(1S)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 97353390
2-[5-[[[2,2,2-Trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 167950008
1,2,4-Oxadiazol-3-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 43559159
(5-Methyl-1,2,4-oxadiazol-3-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 43559291
(5-Ethyl-1,2,4-oxadiazol-3-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 43559420

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine (CID 43648107) is N-[[3,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine is Cc1nn(Cc2ncon2)c(C)c1CNC1CC1.
What is the InChIKey of N-[[3,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is SZVXJNKBJUMHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8-11(5-13-10-3-4-10)9(2)17(15-8)6-12-14-7-18-16-12/h7,10,13H,3-6H2,1-2H3.
What are the key properties of N-[[3,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine?
N-[[3,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 247.30 g/mol, XLogP of 1.18, 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-(1,2,4-oxadiazol-3-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 43648107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).