4-[[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]methyl]oxane-4-carboxamide

C16H26N4O3 — CID 56808467

IUPAC4-[[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]methyl]oxane-4-carboxamide
SMILESCc1nn(C)c(C)c1CCC(=O)NCC1(C(N)=O)CCOCC1
InChIInChI=1S/C16H26N4O3/c1-11-13(12(2)20(3)19-11)4-5-14(21)18-10-16(15(17)22)6-8-23-9-7-16/h4-10H2,1-3H3,(H2,17,22)(H,18,21)
InChIKeyHVDQUSJFVWSMKK-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.37
Rot. Bonds6

About 4-[[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]methyl]oxane-4-carboxamide

4-[[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]methyl]oxane-4-carboxamide (PubChem CID 56808467) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-[[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]methyl]oxane-4-carboxamide
PubChem CID56808467
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name4-[[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]methyl]oxane-4-carboxamide
SMILESCc1nn(C)c(C)c1CCC(=O)NCC1(C(N)=O)CCOCC1
InChIInChI=1S/C16H26N4O3/c1-11-13(12(2)20(3)19-11)4-5-14(21)18-10-16(15(17)22)6-8-23-9-7-16/h4-10H2,1-3H3,(H2,17,22)(H,18,21)
InChIKeyHVDQUSJFVWSMKK-UHFFFAOYSA-N
XLogP0.37
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-N-[(4-carbamoyloxan-4-yl)methyl]-3,5-dimethylpyrazole-4-carboxamide
CID 53512503
4-[[[2-(1,3,5-Trimethylpyrazol-4-yl)acetyl]amino]methyl]oxane-4-carboxamide
CID 56808466
1-[4-(2-methoxyethyl)piperidino]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone
CID 53150916
N-cyclopentyl-2-{4-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]-3-morpholinyl}acetamide
CID 56898587
1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-2-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone
CID 91922001
8-[3-(1,3,5-Trimethylpyrazol-4-yl)propanoyl]-1-oxa-4,8-diazacycloundecan-5-one
CID 110201632
N-(oxolan-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 47136397
N-(2-oxo-3-piperidinyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
CID 47478485
N-[(3R*,4R*)-3-hydroxypiperidin-4-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
CID 70780718
(3S)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-3-carboxamide
CID 97065153
N-(1-cyanobutan-2-yl)-3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide
CID 126839779
(2S)-3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-methyl-N-(1-methylcyclohexyl)propanamide
CID 164638260

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]methyl]oxane-4-carboxamide?
The IUPAC name of 4-[[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]methyl]oxane-4-carboxamide (CID 56808467) is 4-[[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-[[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]methyl]oxane-4-carboxamide?
The canonical SMILES for 4-[[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]methyl]oxane-4-carboxamide is Cc1nn(C)c(C)c1CCC(=O)NCC1(C(N)=O)CCOCC1.
What is the InChIKey of 4-[[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]methyl]oxane-4-carboxamide?
The InChIKey is HVDQUSJFVWSMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-11-13(12(2)20(3)19-11)4-5-14(21)18-10-16(15(17)22)6-8-23-9-7-16/h4-10H2,1-3H3,(H2,17,22)(H,18,21).
What are the key properties of 4-[[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]methyl]oxane-4-carboxamide?
4-[[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]methyl]oxane-4-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]methyl]oxane-4-carboxamide is sourced from PubChem (CID 56808467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).