(1R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine

C17H21N5O — CID 95899482

IUPAC(1R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
SMILESCCc1nnc([C@@H](C)N(C)Cc2cnn(-c3ccccc3)c2)o1
InChIInChI=1S/C17H21N5O/c1-4-16-19-20-17(23-16)13(2)21(3)11-14-10-18-22(12-14)15-8-6-5-7-9-15/h5-10,12-13H,4,11H2,1-3H3/t13-/m1/s1
InChIKeySPVFSSMKRHNPPP-CYBMUJFWSA-N
MW311.39 g/mol
LogP3.01
Rot. Bonds6

About (1R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine

(1R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine (PubChem CID 95899482) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is (1R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
PubChem CID95899482
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name(1R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
SMILESCCc1nnc([C@@H](C)N(C)Cc2cnn(-c3ccccc3)c2)o1
InChIInChI=1S/C17H21N5O/c1-4-16-19-20-17(23-16)13(2)21(3)11-14-10-18-22(12-14)15-8-6-5-7-9-15/h5-10,12-13H,4,11H2,1-3H3/t13-/m1/s1
InChIKeySPVFSSMKRHNPPP-CYBMUJFWSA-N
XLogP3.01
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 56793000
1-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]butan-2-ol
CID 111105745
N-methyl-N-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]propan-1-amine
CID 71847517
1-phenyl-4-propylpyrazole
CID 12902534
2-(4-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 71987033
2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 24551539
2-butylsulfanyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 134037922
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17491199
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 27101616
N,2-dimethyl-3-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide;hydrochloride
CID 119694776
2-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]propan-1-amine
CID 60760084

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine (CID 95899482) is (1R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine is CCc1nnc([C@@H](C)N(C)Cc2cnn(-c3ccccc3)c2)o1.
What is the InChIKey of (1R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is SPVFSSMKRHNPPP-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N5O/c1-4-16-19-20-17(23-16)13(2)21(3)11-14-10-18-22(12-14)15-8-6-5-7-9-15/h5-10,12-13H,4,11H2,1-3H3/t13-/m1/s1.
What are the key properties of (1R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine?
(1R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 311.39 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 95899482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).