(3-ethyl-1-methylpyrazol-4-yl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone

C15H26N4O2 — CID 103894061

IUPAC(3-ethyl-1-methylpyrazol-4-yl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
SMILESCCc1nn(C)cc1C(=O)N1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C15H26N4O2/c1-5-13-12(10-17(4)16-13)14(20)19-8-6-18(7-9-19)11-15(2,3)21/h10,21H,5-9,11H2,1-4H3
InChIKeyKVZGMVAUUZXDPG-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.51
Rot. Bonds4

About (3-ethyl-1-methylpyrazol-4-yl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone

(3-ethyl-1-methylpyrazol-4-yl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 103894061) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-4-yl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-4-yl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
PubChem CID103894061
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name(3-ethyl-1-methylpyrazol-4-yl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
SMILESCCc1nn(C)cc1C(=O)N1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C15H26N4O2/c1-5-13-12(10-17(4)16-13)14(20)19-8-6-18(7-9-19)11-15(2,3)21/h10,21H,5-9,11H2,1-4H3
InChIKeyKVZGMVAUUZXDPG-UHFFFAOYSA-N
XLogP0.51
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-4-yl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of (3-ethyl-1-methylpyrazol-4-yl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone (CID 103894061) is (3-ethyl-1-methylpyrazol-4-yl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-4-yl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-ethyl-1-methylpyrazol-4-yl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone is CCc1nn(C)cc1C(=O)N1CCN(CC(C)(C)O)CC1.
What is the InChIKey of (3-ethyl-1-methylpyrazol-4-yl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is KVZGMVAUUZXDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-5-13-12(10-17(4)16-13)14(20)19-8-6-18(7-9-19)11-15(2,3)21/h10,21H,5-9,11H2,1-4H3.
What are the key properties of (3-ethyl-1-methylpyrazol-4-yl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone?
(3-ethyl-1-methylpyrazol-4-yl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 294.40 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylpyrazol-4-yl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 103894061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).