1-(1-methylpyrazol-4-yl)-4-[(1S)-1-pyrazin-2-ylethyl]piperazin-2-one

C14H18N6O — CID 124617538

IUPAC1-(1-methylpyrazol-4-yl)-4-[(1S)-1-pyrazin-2-ylethyl]piperazin-2-one
SMILESC[C@@H](c1cnccn1)N1CCN(c2cnn(C)c2)C(=O)C1
InChIInChI=1S/C14H18N6O/c1-11(13-8-15-3-4-16-13)19-5-6-20(14(21)10-19)12-7-17-18(2)9-12/h3-4,7-9,11H,5-6,10H2,1-2H3/t11-/m0/s1
InChIKeyPZHPCXJOPIGJHC-NSHDSACASA-N
MW286.34 g/mol
LogP0.62
Rot. Bonds3

About 1-(1-methylpyrazol-4-yl)-4-[(1S)-1-pyrazin-2-ylethyl]piperazin-2-one

1-(1-methylpyrazol-4-yl)-4-[(1S)-1-pyrazin-2-ylethyl]piperazin-2-one (PubChem CID 124617538) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-4-[(1S)-1-pyrazin-2-ylethyl]piperazin-2-one.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-4-[(1S)-1-pyrazin-2-ylethyl]piperazin-2-one
PubChem CID124617538
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name1-(1-methylpyrazol-4-yl)-4-[(1S)-1-pyrazin-2-ylethyl]piperazin-2-one
SMILESC[C@@H](c1cnccn1)N1CCN(c2cnn(C)c2)C(=O)C1
InChIInChI=1S/C14H18N6O/c1-11(13-8-15-3-4-16-13)19-5-6-20(14(21)10-19)12-7-17-18(2)9-12/h3-4,7-9,11H,5-6,10H2,1-2H3/t11-/m0/s1
InChIKeyPZHPCXJOPIGJHC-NSHDSACASA-N
XLogP0.62
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]butanoic acid
CID 124623101
1-(1-methylpyrazol-4-yl)-4-(3-propan-2-yloxypyrazin-2-yl)piperazin-2-one
CID 133455216
2-[4-(1-pyrazin-2-ylethyl)piperazin-1-yl]ethanamine
CID 70668538
1-(1-methylpyrazol-4-yl)-4-(2-methyl-4-pyridinyl)piperazin-2-one
CID 133490452
6-methyl-9-(1-methylpyrazol-4-yl)-2-(pyrazine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 131642956
4-[(2S)-2-(dimethylamino)-3-methylbutanoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 154739436
5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyrazine-2-carboxylic acid
CID 122054198
4-(4,6-dimethylpyrimidin-2-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 71976819
1-[(1R)-1-pyrazin-2-ylethyl]azetidine-3-carboxylic acid
CID 96927169
1-(1-methylpyrazol-4-yl)-4-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperazin-2-one
CID 99818804
4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]benzonitrile
CID 133336956
N'-methyl-4-(1-methylpyrazol-4-yl)-N-(3-methyl-2-pyridin-3-ylbutyl)-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 109435850

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-4-[(1S)-1-pyrazin-2-ylethyl]piperazin-2-one?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-4-[(1S)-1-pyrazin-2-ylethyl]piperazin-2-one (CID 124617538) is 1-(1-methylpyrazol-4-yl)-4-[(1S)-1-pyrazin-2-ylethyl]piperazin-2-one.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-4-[(1S)-1-pyrazin-2-ylethyl]piperazin-2-one?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-4-[(1S)-1-pyrazin-2-ylethyl]piperazin-2-one is C[C@@H](c1cnccn1)N1CCN(c2cnn(C)c2)C(=O)C1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-4-[(1S)-1-pyrazin-2-ylethyl]piperazin-2-one?
The InChIKey is PZHPCXJOPIGJHC-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N6O/c1-11(13-8-15-3-4-16-13)19-5-6-20(14(21)10-19)12-7-17-18(2)9-12/h3-4,7-9,11H,5-6,10H2,1-2H3/t11-/m0/s1.
What are the key properties of 1-(1-methylpyrazol-4-yl)-4-[(1S)-1-pyrazin-2-ylethyl]piperazin-2-one?
1-(1-methylpyrazol-4-yl)-4-[(1S)-1-pyrazin-2-ylethyl]piperazin-2-one has a molecular weight of 286.34 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-4-[(1S)-1-pyrazin-2-ylethyl]piperazin-2-one is sourced from PubChem (CID 124617538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).