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

C12H17ClN4O — CID 77092521

IUPACN-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylmethanamine
SMILESCc1noc(C)c1CN(C)Cc1n[nH]c(C)c1Cl
InChIInChI=1S/C12H17ClN4O/c1-7-10(9(3)18-16-7)5-17(4)6-11-12(13)8(2)14-15-11/h5-6H2,1-4H3,(H,14,15)
InChIKeyBPURVMHGLBUFRV-UHFFFAOYSA-N
MW268.75 g/mol
LogP2.61
Rot. Bonds4

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

N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylmethanamine (PubChem CID 77092521) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylmethanamine
PubChem CID77092521
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC NameN-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylmethanamine
SMILESCc1noc(C)c1CN(C)Cc1n[nH]c(C)c1Cl
InChIInChI=1S/C12H17ClN4O/c1-7-10(9(3)18-16-7)5-17(4)6-11-12(13)8(2)14-15-11/h5-6H2,1-4H3,(H,14,15)
InChIKeyBPURVMHGLBUFRV-UHFFFAOYSA-N
XLogP2.61
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl-methylamino]methyl]phenyl]-N,N-dimethylmethanamine
CID 74244454
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 86984051
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide
CID 47010607
1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-N-methylpropane-1,2-diamine
CID 82398747
N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-1-(5-ethyl-2-pyridinyl)-N-methylmethanamine
CID 74235277
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylmethanamine
CID 171328140
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 47006556
2-(4-chlorophenoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine
CID 78790279
1-(3-cyclohexyl-1,2-oxazol-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine
CID 91835412
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 91832326
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 63267409
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]methanamine
CID 49229975

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylmethanamine?
The IUPAC name of N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylmethanamine (CID 77092521) is N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylmethanamine?
The canonical SMILES for N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylmethanamine is Cc1noc(C)c1CN(C)Cc1n[nH]c(C)c1Cl.
What is the InChIKey of N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylmethanamine?
The InChIKey is BPURVMHGLBUFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-7-10(9(3)18-16-7)5-17(4)6-11-12(13)8(2)14-15-11/h5-6H2,1-4H3,(H,14,15).
What are the key properties of N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylmethanamine?
N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylmethanamine has a molecular weight of 268.75 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 77092521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).