N-methyl-1-(3-propyl-1H-pyrazol-5-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine

C12H16F3N5O — CID 135100162

IUPACN-methyl-1-(3-propyl-1H-pyrazol-5-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
SMILESCCCc1cc(CN(C)Cc2nc(C(F)(F)F)no2)[nH]n1
InChIInChI=1S/C12H16F3N5O/c1-3-4-8-5-9(18-17-8)6-20(2)7-10-16-11(19-21-10)12(13,14)15/h5H,3-4,6-7H2,1-2H3,(H,17,18)
InChIKeyNRWMQMZXOVAJRW-UHFFFAOYSA-N
MW303.29 g/mol
LogP2.40
Rot. Bonds6

About N-methyl-1-(3-propyl-1H-pyrazol-5-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine

N-methyl-1-(3-propyl-1H-pyrazol-5-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine (PubChem CID 135100162) has the molecular formula C12H16F3N5O and a molecular weight of 303.29 g/mol. Its IUPAC name is N-methyl-1-(3-propyl-1H-pyrazol-5-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-propyl-1H-pyrazol-5-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
PubChem CID135100162
Molecular FormulaC12H16F3N5O
Molecular Weight303.29 g/mol
Exact Mass303.13
IUPAC NameN-methyl-1-(3-propyl-1H-pyrazol-5-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
SMILESCCCc1cc(CN(C)Cc2nc(C(F)(F)F)no2)[nH]n1
InChIInChI=1S/C12H16F3N5O/c1-3-4-8-5-9(18-17-8)6-20(2)7-10-16-11(19-21-10)12(13,14)15/h5H,3-4,6-7H2,1-2H3,(H,17,18)
InChIKeyNRWMQMZXOVAJRW-UHFFFAOYSA-N
XLogP2.40
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-propyl-1H-pyrazol-5-yl)methanamine
CID 50975125
N-methyl-1-(oxan-3-yl)-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine
CID 91842915
N-methyl-1-(3-propyl-1H-pyrazol-5-yl)-N-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]methanamine
CID 77091777
5-(chloromethyl)-3-propyl-1H-pyrazole
CID 103027301
N,3,3-trimethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]cyclopentan-1-amine
CID 146046168
2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid
CID 43442635
3-[[methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]amino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172657321
[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanol
CID 56763752
6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(3-propyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine;dihydrochloride
CID 154902804
N-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 131913600
3-[6-[methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91778387
N-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 56760730

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-propyl-1H-pyrazol-5-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The IUPAC name of N-methyl-1-(3-propyl-1H-pyrazol-5-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine (CID 135100162) is N-methyl-1-(3-propyl-1H-pyrazol-5-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine.
What is the SMILES notation for N-methyl-1-(3-propyl-1H-pyrazol-5-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The canonical SMILES for N-methyl-1-(3-propyl-1H-pyrazol-5-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine is CCCc1cc(CN(C)Cc2nc(C(F)(F)F)no2)[nH]n1.
What is the InChIKey of N-methyl-1-(3-propyl-1H-pyrazol-5-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The InChIKey is NRWMQMZXOVAJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5O/c1-3-4-8-5-9(18-17-8)6-20(2)7-10-16-11(19-21-10)12(13,14)15/h5H,3-4,6-7H2,1-2H3,(H,17,18).
What are the key properties of N-methyl-1-(3-propyl-1H-pyrazol-5-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
N-methyl-1-(3-propyl-1H-pyrazol-5-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine has a molecular weight of 303.29 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-propyl-1H-pyrazol-5-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine is sourced from PubChem (CID 135100162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).