N-(1,5-dimethylpyrazol-4-yl)-2-(oxan-3-yl)acetamide

C12H19N3O2 — CID 134702628

IUPACN-(1,5-dimethylpyrazol-4-yl)-2-(oxan-3-yl)acetamide
SMILESCc1c(NC(=O)CC2CCCOC2)cnn1C
InChIInChI=1S/C12H19N3O2/c1-9-11(7-13-15(9)2)14-12(16)6-10-4-3-5-17-8-10/h7,10H,3-6,8H2,1-2H3,(H,14,16)
InChIKeyKANBFNZBOYCNGD-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.48
Rot. Bonds3

About N-(1,5-dimethylpyrazol-4-yl)-2-(oxan-3-yl)acetamide

N-(1,5-dimethylpyrazol-4-yl)-2-(oxan-3-yl)acetamide (PubChem CID 134702628) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-4-yl)-2-(oxan-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-4-yl)-2-(oxan-3-yl)acetamide
PubChem CID134702628
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(1,5-dimethylpyrazol-4-yl)-2-(oxan-3-yl)acetamide
SMILESCc1c(NC(=O)CC2CCCOC2)cnn1C
InChIInChI=1S/C12H19N3O2/c1-9-11(7-13-15(9)2)14-12(16)6-10-4-3-5-17-8-10/h7,10H,3-6,8H2,1-2H3,(H,14,16)
InChIKeyKANBFNZBOYCNGD-UHFFFAOYSA-N
XLogP1.48
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(oxan-3-yl)methanamine
CID 79579340
N-(1,5-dimethylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119797911
1,5-dimethyl-N-(oxan-3-yl)pyrazol-4-amine
CID 115923293
N-(1,5-dimethylpyrazol-4-yl)-2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 137342205
1,5-dimethyl-N-(oxolan-3-ylmethyl)pyrazol-4-amine
CID 115899682
N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-2-(oxan-3-yl)acetamide
CID 134702651
N-(2,4-dichlorophenyl)-2-(oxan-3-yl)acetamide
CID 110864058
N-(2-methyl-6-propan-2-ylphenyl)-2-(oxan-3-yl)acetamide
CID 110858330
N-(2,6-difluorophenyl)-2-(oxan-3-yl)acetamide
CID 110865266
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxan-3-yl)acetamide
CID 110862281
2-(oxan-3-yl)-N-(1-phenyltriazol-4-yl)acetamide
CID 138049586
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(oxan-3-yl)acetamide
CID 110863811

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-2-(oxan-3-yl)acetamide?
The IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-2-(oxan-3-yl)acetamide (CID 134702628) is N-(1,5-dimethylpyrazol-4-yl)-2-(oxan-3-yl)acetamide.
What is the SMILES notation for N-(1,5-dimethylpyrazol-4-yl)-2-(oxan-3-yl)acetamide?
The canonical SMILES for N-(1,5-dimethylpyrazol-4-yl)-2-(oxan-3-yl)acetamide is Cc1c(NC(=O)CC2CCCOC2)cnn1C.
What is the InChIKey of N-(1,5-dimethylpyrazol-4-yl)-2-(oxan-3-yl)acetamide?
The InChIKey is KANBFNZBOYCNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-11(7-13-15(9)2)14-12(16)6-10-4-3-5-17-8-10/h7,10H,3-6,8H2,1-2H3,(H,14,16).
What are the key properties of N-(1,5-dimethylpyrazol-4-yl)-2-(oxan-3-yl)acetamide?
N-(1,5-dimethylpyrazol-4-yl)-2-(oxan-3-yl)acetamide has a molecular weight of 237.30 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-4-yl)-2-(oxan-3-yl)acetamide is sourced from PubChem (CID 134702628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).