(4-ethylpiperazin-1-yl)-(1-methyl-5-propan-2-ylpyrazol-4-yl)methanone

C14H24N4O — CID 42669804

IUPAC(4-ethylpiperazin-1-yl)-(1-methyl-5-propan-2-ylpyrazol-4-yl)methanone
SMILESCCN1CCN(C(=O)c2cnn(C)c2C(C)C)CC1
InChIInChI=1S/C14H24N4O/c1-5-17-6-8-18(9-7-17)14(19)12-10-15-16(4)13(12)11(2)3/h10-11H,5-9H2,1-4H3
InChIKeyQBIZZAHTTNKZEP-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.32
Rot. Bonds3

About (4-ethylpiperazin-1-yl)-(1-methyl-5-propan-2-ylpyrazol-4-yl)methanone

(4-ethylpiperazin-1-yl)-(1-methyl-5-propan-2-ylpyrazol-4-yl)methanone (PubChem CID 42669804) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(1-methyl-5-propan-2-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(1-methyl-5-propan-2-ylpyrazol-4-yl)methanone
PubChem CID42669804
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name(4-ethylpiperazin-1-yl)-(1-methyl-5-propan-2-ylpyrazol-4-yl)methanone
SMILESCCN1CCN(C(=O)c2cnn(C)c2C(C)C)CC1
InChIInChI=1S/C14H24N4O/c1-5-17-6-8-18(9-7-17)14(19)12-10-15-16(4)13(12)11(2)3/h10-11H,5-9H2,1-4H3
InChIKeyQBIZZAHTTNKZEP-UHFFFAOYSA-N
XLogP1.32
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-(1-methyl-5-propan-2-ylpyrazol-4-yl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(1-methyl-5-propan-2-ylpyrazol-4-yl)methanone (CID 42669804) is (4-ethylpiperazin-1-yl)-(1-methyl-5-propan-2-ylpyrazol-4-yl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(1-methyl-5-propan-2-ylpyrazol-4-yl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(1-methyl-5-propan-2-ylpyrazol-4-yl)methanone is CCN1CCN(C(=O)c2cnn(C)c2C(C)C)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(1-methyl-5-propan-2-ylpyrazol-4-yl)methanone?
The InChIKey is QBIZZAHTTNKZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-5-17-6-8-18(9-7-17)14(19)12-10-15-16(4)13(12)11(2)3/h10-11H,5-9H2,1-4H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(1-methyl-5-propan-2-ylpyrazol-4-yl)methanone?
(4-ethylpiperazin-1-yl)-(1-methyl-5-propan-2-ylpyrazol-4-yl)methanone has a molecular weight of 264.37 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(1-methyl-5-propan-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 42669804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).