(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone

C23H33N5O — CID 24794289

IUPAC(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESCCc1[nH]nc(C(=O)N2CCCC(N3CCN(c4ccccc4C)CC3)C2)c1C
InChIInChI=1S/C23H33N5O/c1-4-20-18(3)22(25-24-20)23(29)28-11-7-9-19(16-28)26-12-14-27(15-13-26)21-10-6-5-8-17(21)2/h5-6,8,10,19H,4,7,9,11-16H2,1-3H3,(H,24,25)
InChIKeyDSUUIOOALMSYTH-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.02
Rot. Bonds4

About (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone

(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 24794289) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
PubChem CID24794289
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC Name(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESCCc1[nH]nc(C(=O)N2CCCC(N3CCN(c4ccccc4C)CC3)C2)c1C
InChIInChI=1S/C23H33N5O/c1-4-20-18(3)22(25-24-20)23(29)28-11-7-9-19(16-28)26-12-14-27(15-13-26)21-10-6-5-8-17(21)2/h5-6,8,10,19H,4,7,9,11-16H2,1-3H3,(H,24,25)
InChIKeyDSUUIOOALMSYTH-UHFFFAOYSA-N
XLogP3.02
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone (CID 24794289) is (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone is CCc1[nH]nc(C(=O)N2CCCC(N3CCN(c4ccccc4C)CC3)C2)c1C.
What is the InChIKey of (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The InChIKey is DSUUIOOALMSYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O/c1-4-20-18(3)22(25-24-20)23(29)28-11-7-9-19(16-28)26-12-14-27(15-13-26)21-10-6-5-8-17(21)2/h5-6,8,10,19H,4,7,9,11-16H2,1-3H3,(H,24,25).
What are the key properties of (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 395.55 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 24794289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).