[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone

C15H24N4O — CID 99777070

IUPAC[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone
SMILESCC[C@H](C)n1ncc(C(=O)N2CCNCC2)c1C1CC1
InChIInChI=1S/C15H24N4O/c1-3-11(2)19-14(12-4-5-12)13(10-17-19)15(20)18-8-6-16-7-9-18/h10-12,16H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyFQHLUTHLLYKZNI-NSHDSACASA-N
MW276.38 g/mol
LogP1.78
Rot. Bonds4

About [1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone

[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone (PubChem CID 99777070) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is [1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone
PubChem CID99777070
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone
SMILESCC[C@H](C)n1ncc(C(=O)N2CCNCC2)c1C1CC1
InChIInChI=1S/C15H24N4O/c1-3-11(2)19-14(12-4-5-12)13(10-17-19)15(20)18-8-6-16-7-9-18/h10-12,16H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyFQHLUTHLLYKZNI-NSHDSACASA-N
XLogP1.78
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone?
The IUPAC name of [1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone (CID 99777070) is [1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone is CC[C@H](C)n1ncc(C(=O)N2CCNCC2)c1C1CC1.
What is the InChIKey of [1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone?
The InChIKey is FQHLUTHLLYKZNI-NSHDSACASA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-11(2)19-14(12-4-5-12)13(10-17-19)15(20)18-8-6-16-7-9-18/h10-12,16H,3-9H2,1-2H3/t11-/m0/s1.
What are the key properties of [1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone?
[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone has a molecular weight of 276.38 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 99777070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).