N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide

C18H29N5O3 — CID 50963919

IUPACN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
SMILESCCn1nc(C)c(NC(=O)CN2CCN(C(=O)C3CCCO3)CC2)c1C
InChIInChI=1S/C18H29N5O3/c1-4-23-14(3)17(13(2)20-23)19-16(24)12-21-7-9-22(10-8-21)18(25)15-6-5-11-26-15/h15H,4-12H2,1-3H3,(H,19,24)
InChIKeyDGFACVDZKZTETF-UHFFFAOYSA-N
MW363.46 g/mol
LogP0.78
Rot. Bonds5

About N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide

N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 50963919) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID50963919
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
SMILESCCn1nc(C)c(NC(=O)CN2CCN(C(=O)C3CCCO3)CC2)c1C
InChIInChI=1S/C18H29N5O3/c1-4-23-14(3)17(13(2)20-23)19-16(24)12-21-7-9-22(10-8-21)18(25)15-6-5-11-26-15/h15H,4-12H2,1-3H3,(H,19,24)
InChIKeyDGFACVDZKZTETF-UHFFFAOYSA-N
XLogP0.78
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide (CID 50963919) is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide is CCn1nc(C)c(NC(=O)CN2CCN(C(=O)C3CCCO3)CC2)c1C.
What is the InChIKey of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is DGFACVDZKZTETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-4-23-14(3)17(13(2)20-23)19-16(24)12-21-7-9-22(10-8-21)18(25)15-6-5-11-26-15/h15H,4-12H2,1-3H3,(H,19,24).
What are the key properties of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 363.46 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 50963919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).