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

C11H16N4O — CID 43647700

IUPAC1-[3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(C)nn(Cc2ccno2)c1C
InChIInChI=1S/C11H16N4O/c1-8-11(6-12-3)9(2)15(14-8)7-10-4-5-13-16-10/h4-5,12H,6-7H2,1-3H3
InChIKeyASKRGQPPMIDCQY-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.26
Rot. Bonds4

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

1-[3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]-N-methylmethanamine (PubChem CID 43647700) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-[3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]-N-methylmethanamine
PubChem CID43647700
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1-[3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(C)nn(Cc2ccno2)c1C
InChIInChI=1S/C11H16N4O/c1-8-11(6-12-3)9(2)15(14-8)7-10-4-5-13-16-10/h4-5,12H,6-7H2,1-3H3
InChIKeyASKRGQPPMIDCQY-UHFFFAOYSA-N
XLogP1.26
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 114930879
1-[3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]-N-methylmethanamine
CID 43647714
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 7022224
4-[[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]methyl]benzonitrile
CID 43647628
1-[1-[(2,4-dimethylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 82300123
1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-methylmethanamine
CID 43647632
1-[1-[(2-bromo-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 43647625
1-[1-[(3-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 43647688
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 103605624
3-[[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]methyl]benzonitrile
CID 43647689
1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 54956367
N-[[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62440795

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]-N-methylmethanamine (CID 43647700) is 1-[3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]-N-methylmethanamine is CNCc1c(C)nn(Cc2ccno2)c1C.
What is the InChIKey of 1-[3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]-N-methylmethanamine?
The InChIKey is ASKRGQPPMIDCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-8-11(6-12-3)9(2)15(14-8)7-10-4-5-13-16-10/h4-5,12H,6-7H2,1-3H3.
What are the key properties of 1-[3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]-N-methylmethanamine?
1-[3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]-N-methylmethanamine has a molecular weight of 220.28 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 43647700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).