(2R)-1-acetyl-4-(1,3-dimethylpyrazole-4-carbonyl)-N-methylpiperazine-2-carboxamide

C14H21N5O3 — CID 125024551

IUPAC(2R)-1-acetyl-4-(1,3-dimethylpyrazole-4-carbonyl)-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)[C@H]1CN(C(=O)c2cn(C)nc2C)CCN1C(C)=O
InChIInChI=1S/C14H21N5O3/c1-9-11(7-17(4)16-9)14(22)18-5-6-19(10(2)20)12(8-18)13(21)15-3/h7,12H,5-6,8H2,1-4H3,(H,15,21)/t12-/m1/s1
InChIKeyZGLZTSILRWZDQT-GFCCVEGCSA-N
MW307.35 g/mol
LogP-0.85
Rot. Bonds2

About (2R)-1-acetyl-4-(1,3-dimethylpyrazole-4-carbonyl)-N-methylpiperazine-2-carboxamide

(2R)-1-acetyl-4-(1,3-dimethylpyrazole-4-carbonyl)-N-methylpiperazine-2-carboxamide (PubChem CID 125024551) has the molecular formula C14H21N5O3 and a molecular weight of 307.35 g/mol. Its IUPAC name is (2R)-1-acetyl-4-(1,3-dimethylpyrazole-4-carbonyl)-N-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-acetyl-4-(1,3-dimethylpyrazole-4-carbonyl)-N-methylpiperazine-2-carboxamide
PubChem CID125024551
Molecular FormulaC14H21N5O3
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Name(2R)-1-acetyl-4-(1,3-dimethylpyrazole-4-carbonyl)-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)[C@H]1CN(C(=O)c2cn(C)nc2C)CCN1C(C)=O
InChIInChI=1S/C14H21N5O3/c1-9-11(7-17(4)16-9)14(22)18-5-6-19(10(2)20)12(8-18)13(21)15-3/h7,12H,5-6,8H2,1-4H3,(H,15,21)/t12-/m1/s1
InChIKeyZGLZTSILRWZDQT-GFCCVEGCSA-N
XLogP-0.85
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1,3-dimethylpyrazol-4-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 102801015
1-acetyl-4-[1-(2-methoxyethyl)indole-3-carbonyl]-N-methylpiperazine-2-carboxamide
CID 110086030
[3-(bromomethyl)pyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802318
(3S)-N-cyclopentyl-1-(1,3-dimethylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide
CID 92633358
(2R)-1-acetyl-N-methyl-4-[3-(2-methylimidazol-1-yl)propanoyl]piperazine-2-carboxamide
CID 124977893
(4-chloro-3-methylpiperidin-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802438
(1,3-dimethylpyrazol-4-yl)-[(3R)-4-methyl-3-phenylpiperazin-1-yl]methanone
CID 125001754
(1,3-dimethylpyrazol-4-yl)-[3-ethyl-4-(propylamino)piperidin-1-yl]methanone
CID 102801020
1-(1,3-dimethylpyrazole-4-carbonyl)-N,N-dimethylazetidine-3-carboxamide
CID 73440376
(2S)-1-acetyl-4-[3-(dimethylamino)benzoyl]-N-methylpiperazine-2-carboxamide
CID 125026443
1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide
CID 110086615
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 124977561

Frequently Asked Questions

What is the IUPAC name of (2R)-1-acetyl-4-(1,3-dimethylpyrazole-4-carbonyl)-N-methylpiperazine-2-carboxamide?
The IUPAC name of (2R)-1-acetyl-4-(1,3-dimethylpyrazole-4-carbonyl)-N-methylpiperazine-2-carboxamide (CID 125024551) is (2R)-1-acetyl-4-(1,3-dimethylpyrazole-4-carbonyl)-N-methylpiperazine-2-carboxamide.
What is the SMILES notation for (2R)-1-acetyl-4-(1,3-dimethylpyrazole-4-carbonyl)-N-methylpiperazine-2-carboxamide?
The canonical SMILES for (2R)-1-acetyl-4-(1,3-dimethylpyrazole-4-carbonyl)-N-methylpiperazine-2-carboxamide is CNC(=O)[C@H]1CN(C(=O)c2cn(C)nc2C)CCN1C(C)=O.
What is the InChIKey of (2R)-1-acetyl-4-(1,3-dimethylpyrazole-4-carbonyl)-N-methylpiperazine-2-carboxamide?
The InChIKey is ZGLZTSILRWZDQT-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21N5O3/c1-9-11(7-17(4)16-9)14(22)18-5-6-19(10(2)20)12(8-18)13(21)15-3/h7,12H,5-6,8H2,1-4H3,(H,15,21)/t12-/m1/s1.
What are the key properties of (2R)-1-acetyl-4-(1,3-dimethylpyrazole-4-carbonyl)-N-methylpiperazine-2-carboxamide?
(2R)-1-acetyl-4-(1,3-dimethylpyrazole-4-carbonyl)-N-methylpiperazine-2-carboxamide has a molecular weight of 307.35 g/mol, XLogP of -0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-acetyl-4-(1,3-dimethylpyrazole-4-carbonyl)-N-methylpiperazine-2-carboxamide is sourced from PubChem (CID 125024551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).