(1-ethyl-5-methylpyrazol-4-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone

C16H26N4O2 — CID 50979496

IUPAC(1-ethyl-5-methylpyrazol-4-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
SMILESCCn1ncc(C(=O)N2CCN(CC3CCCO3)CC2)c1C
InChIInChI=1S/C16H26N4O2/c1-3-20-13(2)15(11-17-20)16(21)19-8-6-18(7-9-19)12-14-5-4-10-22-14/h11,14H,3-10,12H2,1-2H3
InChIKeySAFZIXLOTPVMSD-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.15
Rot. Bonds4

About (1-ethyl-5-methylpyrazol-4-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone

(1-ethyl-5-methylpyrazol-4-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 50979496) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (1-ethyl-5-methylpyrazol-4-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethyl-5-methylpyrazol-4-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID50979496
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(1-ethyl-5-methylpyrazol-4-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
SMILESCCn1ncc(C(=O)N2CCN(CC3CCCO3)CC2)c1C
InChIInChI=1S/C16H26N4O2/c1-3-20-13(2)15(11-17-20)16(21)19-8-6-18(7-9-19)12-14-5-4-10-22-14/h11,14H,3-10,12H2,1-2H3
InChIKeySAFZIXLOTPVMSD-UHFFFAOYSA-N
XLogP1.15
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-5-methylpyrazol-4-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (1-ethyl-5-methylpyrazol-4-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone (CID 50979496) is (1-ethyl-5-methylpyrazol-4-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-ethyl-5-methylpyrazol-4-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-ethyl-5-methylpyrazol-4-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone is CCn1ncc(C(=O)N2CCN(CC3CCCO3)CC2)c1C.
What is the InChIKey of (1-ethyl-5-methylpyrazol-4-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is SAFZIXLOTPVMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-3-20-13(2)15(11-17-20)16(21)19-8-6-18(7-9-19)12-14-5-4-10-22-14/h11,14H,3-10,12H2,1-2H3.
What are the key properties of (1-ethyl-5-methylpyrazol-4-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
(1-ethyl-5-methylpyrazol-4-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 306.41 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-5-methylpyrazol-4-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 50979496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).