3-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide

C12H20N4O2 — CID 79236838

IUPAC3-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)C1(N)CCOC1
InChIInChI=1S/C12H20N4O2/c1-8-10(9(2)16(3)15-8)6-14-11(17)12(13)4-5-18-7-12/h4-7,13H2,1-3H3,(H,14,17)
InChIKeyRXTSTAQGUKAANE-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.23
Rot. Bonds3

About 3-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide

3-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide (PubChem CID 79236838) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide
PubChem CID79236838
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name3-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)C1(N)CCOC1
InChIInChI=1S/C12H20N4O2/c1-8-10(9(2)16(3)15-8)6-14-11(17)12(13)4-5-18-7-12/h4-7,13H2,1-3H3,(H,14,17)
InChIKeyRXTSTAQGUKAANE-UHFFFAOYSA-N
XLogP-0.23
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(N'-hydroxycarbamimidoyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 79234525
1-cyano-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 80592059
1-(3-aminooxolan-3-yl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanone
CID 116579569
1-cyano-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclobutane-1-carboxamide
CID 79036526
methyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate
CID 110731133
3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119725175
4-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 79233468
4-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 79231351
4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide
CID 79236647
4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]oxan-4-ol
CID 78928754
2-morpholin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 110446396
3-amino-N-[(6-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide
CID 64891810

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide (CID 79236838) is 3-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide is Cc1nn(C)c(C)c1CNC(=O)C1(N)CCOC1.
What is the InChIKey of 3-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide?
The InChIKey is RXTSTAQGUKAANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8-10(9(2)16(3)15-8)6-14-11(17)12(13)4-5-18-7-12/h4-7,13H2,1-3H3,(H,14,17).
What are the key properties of 3-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide?
3-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide has a molecular weight of 252.32 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 79236838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).