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

C12H19N5O — CID 43648011

IUPACN-[[3,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazol-4-yl]methyl]propan-2-amine
SMILESCc1nn(Cc2ncon2)c(C)c1CNC(C)C
InChIInChI=1S/C12H19N5O/c1-8(2)13-5-11-9(3)15-17(10(11)4)6-12-14-7-18-16-12/h7-8,13H,5-6H2,1-4H3
InChIKeyCUGKSROENKAISZ-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.43
Rot. Bonds5

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

N-[[3,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazol-4-yl]methyl]propan-2-amine (PubChem CID 43648011) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-[[3,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazol-4-yl]methyl]propan-2-amine
PubChem CID43648011
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-[[3,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazol-4-yl]methyl]propan-2-amine
SMILESCc1nn(Cc2ncon2)c(C)c1CNC(C)C
InChIInChI=1S/C12H19N5O/c1-8(2)13-5-11-9(3)15-17(10(11)4)6-12-14-7-18-16-12/h7-8,13H,5-6H2,1-4H3
InChIKeyCUGKSROENKAISZ-UHFFFAOYSA-N
XLogP1.43
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 43648107
N-[[3,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 115982259
N-[[3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 43648009
N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 61495486
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propan-2-amine;hydrochloride
CID 75530696
N-[[1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43647937
N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43647958
N-[[3,5-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 102877955
N-[[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 80693701
N-[[1-(3-methoxypropyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 60925347
N-[[1-[(5-bromo-3-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 104801141
N-[[1-[(4-chloro-2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 114851493

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazol-4-yl]methyl]propan-2-amine (CID 43648011) is N-[[3,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazol-4-yl]methyl]propan-2-amine is Cc1nn(Cc2ncon2)c(C)c1CNC(C)C.
What is the InChIKey of N-[[3,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is CUGKSROENKAISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-8(2)13-5-11-9(3)15-17(10(11)4)6-12-14-7-18-16-12/h7-8,13H,5-6H2,1-4H3.
What are the key properties of N-[[3,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazol-4-yl]methyl]propan-2-amine?
N-[[3,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 249.32 g/mol, XLogP of 1.43, 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]propan-2-amine is sourced from PubChem (CID 43648011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).