2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone

C18H29N5O2 — CID 42285731

IUPAC2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
SMILESCc1cc(C(=O)N2CCN(C)CC2)nn1CC(=O)N1CCC[C@H](C)C1
InChIInChI=1S/C18H29N5O2/c1-14-5-4-6-22(12-14)17(24)13-23-15(2)11-16(19-23)18(25)21-9-7-20(3)8-10-21/h11,14H,4-10,12-13H2,1-3H3/t14-/m0/s1
InChIKeyLRHMSCZPAMRVJD-AWEZNQCLSA-N
MW347.46 g/mol
LogP0.84
Rot. Bonds3

About 2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone

2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone (PubChem CID 42285731) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
PubChem CID42285731
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
SMILESCc1cc(C(=O)N2CCN(C)CC2)nn1CC(=O)N1CCC[C@H](C)C1
InChIInChI=1S/C18H29N5O2/c1-14-5-4-6-22(12-14)17(24)13-23-15(2)11-16(19-23)18(25)21-9-7-20(3)8-10-21/h11,14H,4-10,12-13H2,1-3H3/t14-/m0/s1
InChIKeyLRHMSCZPAMRVJD-AWEZNQCLSA-N
XLogP0.84
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone?
The IUPAC name of 2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone (CID 42285731) is 2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone is Cc1cc(C(=O)N2CCN(C)CC2)nn1CC(=O)N1CCC[C@H](C)C1.
What is the InChIKey of 2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone?
The InChIKey is LRHMSCZPAMRVJD-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-14-5-4-6-22(12-14)17(24)13-23-15(2)11-16(19-23)18(25)21-9-7-20(3)8-10-21/h11,14H,4-10,12-13H2,1-3H3/t14-/m0/s1.
What are the key properties of 2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone?
2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone has a molecular weight of 347.46 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 42285731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).