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

C13H23N3O — CID 62731172

IUPACN-[[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(CC2CCOC2)c1C
InChIInChI=1S/C13H23N3O/c1-4-14-7-13-10(2)15-16(11(13)3)8-12-5-6-17-9-12/h12,14H,4-9H2,1-3H3
InChIKeyKMMVZRMVQGUMKC-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.65
Rot. Bonds5

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

N-[[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]methyl]ethanamine (PubChem CID 62731172) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]methyl]ethanamine
PubChem CID62731172
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(CC2CCOC2)c1C
InChIInChI=1S/C13H23N3O/c1-4-14-7-13-10(2)15-16(11(13)3)8-12-5-6-17-9-12/h12,14H,4-9H2,1-3H3
InChIKeyKMMVZRMVQGUMKC-UHFFFAOYSA-N
XLogP1.65
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62731903
N-[[3,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 103136272
3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazole-4-carbaldehyde
CID 62726703
2-[3,5-dimethyl-1-(oxan-4-ylmethyl)pyrazol-4-yl]acetic acid
CID 62386249
1-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanol
CID 62729993
1-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]-2,2,2-trifluoroethanone
CID 63754607
2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-1-morpholin-4-ylethanone
CID 43647773
4-bromo-5-methyl-2-(oxolan-3-ylmethyl)triazole
CID 123139283
2-[3,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]-N-ethylethanamine
CID 103140559
N-[[1-(3-fluoropropyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 81113432
N-[[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 61483845
3,5-dimethyl-1-(oxan-4-ylmethyl)pyrazole-4-carboxylic acid
CID 55065971

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]methyl]ethanamine (CID 62731172) is N-[[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]methyl]ethanamine is CCNCc1c(C)nn(CC2CCOC2)c1C.
What is the InChIKey of N-[[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]methyl]ethanamine?
The InChIKey is KMMVZRMVQGUMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-14-7-13-10(2)15-16(11(13)3)8-12-5-6-17-9-12/h12,14H,4-9H2,1-3H3.
What are the key properties of N-[[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]methyl]ethanamine?
N-[[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]methyl]ethanamine has a molecular weight of 237.35 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 62731172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).