(5-cyclopropyl-1-propylpyrazol-4-yl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone

C19H28N6O — CID 136533777

IUPAC(5-cyclopropyl-1-propylpyrazol-4-yl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCCCn1ncc(C(=O)N2CCN(C)C(c3nccn3C)C2)c1C1CC1
InChIInChI=1S/C19H28N6O/c1-4-8-25-17(14-5-6-14)15(12-21-25)19(26)24-11-10-22(2)16(13-24)18-20-7-9-23(18)3/h7,9,12,14,16H,4-6,8,10-11,13H2,1-3H3
InChIKeyRIOKFLZXCNIMRL-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.03
Rot. Bonds5

About (5-cyclopropyl-1-propylpyrazol-4-yl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone

(5-cyclopropyl-1-propylpyrazol-4-yl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (PubChem CID 136533777) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is (5-cyclopropyl-1-propylpyrazol-4-yl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1-propylpyrazol-4-yl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
PubChem CID136533777
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name(5-cyclopropyl-1-propylpyrazol-4-yl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCCCn1ncc(C(=O)N2CCN(C)C(c3nccn3C)C2)c1C1CC1
InChIInChI=1S/C19H28N6O/c1-4-8-25-17(14-5-6-14)15(12-21-25)19(26)24-11-10-22(2)16(13-24)18-20-7-9-23(18)3/h7,9,12,14,16H,4-6,8,10-11,13H2,1-3H3
InChIKeyRIOKFLZXCNIMRL-UHFFFAOYSA-N
XLogP2.03
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-ethyl-1-methylpyrazol-4-yl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 128997376
(3-ethyl-1-methylpyrazol-4-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129341721
(2,4-dimethylpyrimidin-5-yl)-[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129479039
(4-ethylthiadiazol-5-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129478872
(4-ethyl-1,3-thiazol-5-yl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129006466
(2,5-dimethylfuran-3-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129478549
[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 129478430
(5-hydroxy-3-pyridinyl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129474214
(5-fluoro-2-pyridinyl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 128966106
[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 128992746
2,3-dihydro-1H-inden-4-yl-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 128992767
(1-methylimidazol-2-yl)-[(3S)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidin-3-yl]methanone
CID 95125513

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1-propylpyrazol-4-yl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1-propylpyrazol-4-yl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (CID 136533777) is (5-cyclopropyl-1-propylpyrazol-4-yl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1-propylpyrazol-4-yl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1-propylpyrazol-4-yl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is CCCn1ncc(C(=O)N2CCN(C)C(c3nccn3C)C2)c1C1CC1.
What is the InChIKey of (5-cyclopropyl-1-propylpyrazol-4-yl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is RIOKFLZXCNIMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-4-8-25-17(14-5-6-14)15(12-21-25)19(26)24-11-10-22(2)16(13-24)18-20-7-9-23(18)3/h7,9,12,14,16H,4-6,8,10-11,13H2,1-3H3.
What are the key properties of (5-cyclopropyl-1-propylpyrazol-4-yl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
(5-cyclopropyl-1-propylpyrazol-4-yl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 356.47 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1-propylpyrazol-4-yl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 136533777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).