(1-tert-butyl-5-methylpyrazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone

C14H24N4O — CID 124694981

IUPAC(1-tert-butyl-5-methylpyrazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN[C@@H](C)C2)nn1C(C)(C)C
InChIInChI=1S/C14H24N4O/c1-10-9-17(7-6-15-10)13(19)12-8-11(2)18(16-12)14(3,4)5/h8,10,15H,6-7,9H2,1-5H3/t10-/m0/s1
InChIKeyLEODBOUVYWHEHS-JTQLQIEISA-N
MW264.37 g/mol
LogP1.38
Rot. Bonds1

About (1-tert-butyl-5-methylpyrazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone

(1-tert-butyl-5-methylpyrazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone (PubChem CID 124694981) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is (1-tert-butyl-5-methylpyrazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-tert-butyl-5-methylpyrazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone
PubChem CID124694981
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name(1-tert-butyl-5-methylpyrazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN[C@@H](C)C2)nn1C(C)(C)C
InChIInChI=1S/C14H24N4O/c1-10-9-17(7-6-15-10)13(19)12-8-11(2)18(16-12)14(3,4)5/h8,10,15H,6-7,9H2,1-5H3/t10-/m0/s1
InChIKeyLEODBOUVYWHEHS-JTQLQIEISA-N
XLogP1.38
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,5-dimethylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 119578302
[3-(azepan-1-yl)piperidin-1-yl]-(1-tert-butyl-5-methylpyrazol-3-yl)methanone
CID 56783509
(5-methyl-1,2-oxazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428158
1-[4-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 56816616
(5-tert-butyl-1H-pyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 119580078
(4,6-dimethyl-2-pyridinyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 114269672
1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 53499150
(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-piperazin-1-ylmethanone
CID 119400332
(3,5-dimethylphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119578061
(3R,6R)-1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95139369
(2-ethyl-5-methylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 66121470
(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995335

Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-5-methylpyrazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of (1-tert-butyl-5-methylpyrazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone (CID 124694981) is (1-tert-butyl-5-methylpyrazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (1-tert-butyl-5-methylpyrazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for (1-tert-butyl-5-methylpyrazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN[C@@H](C)C2)nn1C(C)(C)C.
What is the InChIKey of (1-tert-butyl-5-methylpyrazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone?
The InChIKey is LEODBOUVYWHEHS-JTQLQIEISA-N. The full InChI is InChI=1S/C14H24N4O/c1-10-9-17(7-6-15-10)13(19)12-8-11(2)18(16-12)14(3,4)5/h8,10,15H,6-7,9H2,1-5H3/t10-/m0/s1.
What are the key properties of (1-tert-butyl-5-methylpyrazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone?
(1-tert-butyl-5-methylpyrazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone has a molecular weight of 264.37 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-5-methylpyrazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 124694981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).