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

C12H18N4O — CID 43647813

IUPACN-[[3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(Cc2ccno2)c1C
InChIInChI=1S/C12H18N4O/c1-4-13-7-12-9(2)15-16(10(12)3)8-11-5-6-14-17-11/h5-6,13H,4,7-8H2,1-3H3
InChIKeyBVVLQVPKVSVXCN-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.65
Rot. Bonds5

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

N-[[3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]methyl]ethanamine (PubChem CID 43647813) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[[3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]methyl]ethanamine
PubChem CID43647813
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-[[3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(Cc2ccno2)c1C
InChIInChI=1S/C12H18N4O/c1-4-13-7-12-9(2)15-16(10(12)3)8-11-5-6-14-17-11/h5-6,13H,4,7-8H2,1-3H3
InChIKeyBVVLQVPKVSVXCN-UHFFFAOYSA-N
XLogP1.65
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]methyl]ethanamine (CID 43647813) is N-[[3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]methyl]ethanamine is CCNCc1c(C)nn(Cc2ccno2)c1C.
What is the InChIKey of N-[[3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]methyl]ethanamine?
The InChIKey is BVVLQVPKVSVXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-4-13-7-12-9(2)15-16(10(12)3)8-11-5-6-14-17-11/h5-6,13H,4,7-8H2,1-3H3.
What are the key properties of N-[[3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]methyl]ethanamine?
N-[[3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]methyl]ethanamine has a molecular weight of 234.30 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 43647813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).