(1-benzyl-5-ethylpyrazol-4-yl)-[(3R,5R)-3,5-dimethylpiperazin-1-yl]methanone

C19H26N4O — CID 124589891

IUPAC(1-benzyl-5-ethylpyrazol-4-yl)-[(3R,5R)-3,5-dimethylpiperazin-1-yl]methanone
SMILESCCc1c(C(=O)N2C[C@@H](C)N[C@H](C)C2)cnn1Cc1ccccc1
InChIInChI=1S/C19H26N4O/c1-4-18-17(19(24)22-11-14(2)21-15(3)12-22)10-20-23(18)13-16-8-6-5-7-9-16/h5-10,14-15,21H,4,11-13H2,1-3H3/t14-,15-/m1/s1
InChIKeyUHRRFDHSYQVKCX-HUUCEWRRSA-N
MW326.44 g/mol
LogP2.32
Rot. Bonds4

About (1-benzyl-5-ethylpyrazol-4-yl)-[(3R,5R)-3,5-dimethylpiperazin-1-yl]methanone

(1-benzyl-5-ethylpyrazol-4-yl)-[(3R,5R)-3,5-dimethylpiperazin-1-yl]methanone (PubChem CID 124589891) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is (1-benzyl-5-ethylpyrazol-4-yl)-[(3R,5R)-3,5-dimethylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzyl-5-ethylpyrazol-4-yl)-[(3R,5R)-3,5-dimethylpiperazin-1-yl]methanone
PubChem CID124589891
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name(1-benzyl-5-ethylpyrazol-4-yl)-[(3R,5R)-3,5-dimethylpiperazin-1-yl]methanone
SMILESCCc1c(C(=O)N2C[C@@H](C)N[C@H](C)C2)cnn1Cc1ccccc1
InChIInChI=1S/C19H26N4O/c1-4-18-17(19(24)22-11-14(2)21-15(3)12-22)10-20-23(18)13-16-8-6-5-7-9-16/h5-10,14-15,21H,4,11-13H2,1-3H3/t14-,15-/m1/s1
InChIKeyUHRRFDHSYQVKCX-HUUCEWRRSA-N
XLogP2.32
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-benzyl-5-ethylpyrazol-4-yl)-[(3R,5R)-3,5-dimethylpiperazin-1-yl]methanone with MolForge

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Related Compounds

(1-benzyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119637530
(1-benzyl-5-ethylpyrazol-4-yl)-piperazin-1-ylmethanone
CID 119402258
(3R,4R)-1-(1-benzyl-5-ethylpyrazole-4-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120978605
(1-benzyl-5-ethylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone
CID 78873214
(1-benzyl-5-ethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
CID 78874147
(3R)-1-(1-benzyl-5-ethylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 124610594
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1-benzyl-5-ethylpyrazol-4-yl)methanone
CID 120741987
1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 78874114
(1-benzyl-5-ethylpyrazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 78873933
(1-benzyl-5-ethylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 78874237
1-(1-benzyl-5-ethylpyrazole-4-carbonyl)-N-ethylpiperidine-4-carboxamide
CID 78905352
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-benzyl-5-ethylpyrazol-4-yl)methanone
CID 120814271

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-ethylpyrazol-4-yl)-[(3R,5R)-3,5-dimethylpiperazin-1-yl]methanone?
The IUPAC name of (1-benzyl-5-ethylpyrazol-4-yl)-[(3R,5R)-3,5-dimethylpiperazin-1-yl]methanone (CID 124589891) is (1-benzyl-5-ethylpyrazol-4-yl)-[(3R,5R)-3,5-dimethylpiperazin-1-yl]methanone.
What is the SMILES notation for (1-benzyl-5-ethylpyrazol-4-yl)-[(3R,5R)-3,5-dimethylpiperazin-1-yl]methanone?
The canonical SMILES for (1-benzyl-5-ethylpyrazol-4-yl)-[(3R,5R)-3,5-dimethylpiperazin-1-yl]methanone is CCc1c(C(=O)N2C[C@@H](C)N[C@H](C)C2)cnn1Cc1ccccc1.
What is the InChIKey of (1-benzyl-5-ethylpyrazol-4-yl)-[(3R,5R)-3,5-dimethylpiperazin-1-yl]methanone?
The InChIKey is UHRRFDHSYQVKCX-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H26N4O/c1-4-18-17(19(24)22-11-14(2)21-15(3)12-22)10-20-23(18)13-16-8-6-5-7-9-16/h5-10,14-15,21H,4,11-13H2,1-3H3/t14-,15-/m1/s1.
What are the key properties of (1-benzyl-5-ethylpyrazol-4-yl)-[(3R,5R)-3,5-dimethylpiperazin-1-yl]methanone?
(1-benzyl-5-ethylpyrazol-4-yl)-[(3R,5R)-3,5-dimethylpiperazin-1-yl]methanone has a molecular weight of 326.44 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-ethylpyrazol-4-yl)-[(3R,5R)-3,5-dimethylpiperazin-1-yl]methanone is sourced from PubChem (CID 124589891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).