[(3S)-3-methylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone

C10H16N4O — CID 81428793

IUPAC[(3S)-3-methylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESC[C@H]1CN(C(=O)c2ccnn2C)CCN1
InChIInChI=1S/C10H16N4O/c1-8-7-14(6-5-11-8)10(15)9-3-4-12-13(9)2/h3-4,8,11H,5-7H2,1-2H3/t8-/m0/s1
InChIKeyXHKFNHHUIQRHGC-QMMMGPOBSA-N
MW208.26 g/mol
LogP-0.15
Rot. Bonds1

About [(3S)-3-methylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone

[(3S)-3-methylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 81428793) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is [(3S)-3-methylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-methylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID81428793
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name[(3S)-3-methylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESC[C@H]1CN(C(=O)c2ccnn2C)CCN1
InChIInChI=1S/C10H16N4O/c1-8-7-14(6-5-11-8)10(15)9-3-4-12-13(9)2/h3-4,8,11H,5-7H2,1-2H3/t8-/m0/s1
InChIKeyXHKFNHHUIQRHGC-QMMMGPOBSA-N
XLogP-0.15
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride
CID 126965683
1-(2-methylpyrazole-3-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918339
3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-4-one
CID 114499805
(4-bromo-3-methylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone
CID 114683538
(3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone
CID 65416595
1-(2-methylpyrazole-3-carbonyl)-1,4-diazepan-5-one
CID 62317121
(3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 119580519
(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917576
1-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 110467110
(3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone
CID 61297196
(3-amino-5-methylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone
CID 79993620
(3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone;hydrochloride
CID 119379296

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [(3S)-3-methylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 81428793) is [(3S)-3-methylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [(3S)-3-methylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [(3S)-3-methylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone is C[C@H]1CN(C(=O)c2ccnn2C)CCN1.
What is the InChIKey of [(3S)-3-methylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is XHKFNHHUIQRHGC-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N4O/c1-8-7-14(6-5-11-8)10(15)9-3-4-12-13(9)2/h3-4,8,11H,5-7H2,1-2H3/t8-/m0/s1.
What are the key properties of [(3S)-3-methylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[(3S)-3-methylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 208.26 g/mol, XLogP of -0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 81428793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).