(2S)-2-ethyl-4-[(2-phenylpyrazol-3-yl)methyl]-1-propan-2-ylpiperazine

C19H28N4 — CID 95714353

IUPAC(2S)-2-ethyl-4-[(2-phenylpyrazol-3-yl)methyl]-1-propan-2-ylpiperazine
SMILESCC[C@H]1CN(Cc2ccnn2-c2ccccc2)CCN1C(C)C
InChIInChI=1S/C19H28N4/c1-4-17-14-21(12-13-22(17)16(2)3)15-19-10-11-20-23(19)18-8-6-5-7-9-18/h5-11,16-17H,4,12-15H2,1-3H3/t17-/m0/s1
InChIKeyBCQJQCLKWLCLQD-KRWDZBQOSA-N
MW312.46 g/mol
LogP3.18
Rot. Bonds5

About (2S)-2-ethyl-4-[(2-phenylpyrazol-3-yl)methyl]-1-propan-2-ylpiperazine

(2S)-2-ethyl-4-[(2-phenylpyrazol-3-yl)methyl]-1-propan-2-ylpiperazine (PubChem CID 95714353) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is (2S)-2-ethyl-4-[(2-phenylpyrazol-3-yl)methyl]-1-propan-2-ylpiperazine.

Molecular Properties

Compound Name(2S)-2-ethyl-4-[(2-phenylpyrazol-3-yl)methyl]-1-propan-2-ylpiperazine
PubChem CID95714353
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name(2S)-2-ethyl-4-[(2-phenylpyrazol-3-yl)methyl]-1-propan-2-ylpiperazine
SMILESCC[C@H]1CN(Cc2ccnn2-c2ccccc2)CCN1C(C)C
InChIInChI=1S/C19H28N4/c1-4-17-14-21(12-13-22(17)16(2)3)15-19-10-11-20-23(19)18-8-6-5-7-9-18/h5-11,16-17H,4,12-15H2,1-3H3/t17-/m0/s1
InChIKeyBCQJQCLKWLCLQD-KRWDZBQOSA-N
XLogP3.18
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-4-[(2-phenylpyrazol-3-yl)methyl]-1-propan-2-ylpiperazine?
The IUPAC name of (2S)-2-ethyl-4-[(2-phenylpyrazol-3-yl)methyl]-1-propan-2-ylpiperazine (CID 95714353) is (2S)-2-ethyl-4-[(2-phenylpyrazol-3-yl)methyl]-1-propan-2-ylpiperazine.
What is the SMILES notation for (2S)-2-ethyl-4-[(2-phenylpyrazol-3-yl)methyl]-1-propan-2-ylpiperazine?
The canonical SMILES for (2S)-2-ethyl-4-[(2-phenylpyrazol-3-yl)methyl]-1-propan-2-ylpiperazine is CC[C@H]1CN(Cc2ccnn2-c2ccccc2)CCN1C(C)C.
What is the InChIKey of (2S)-2-ethyl-4-[(2-phenylpyrazol-3-yl)methyl]-1-propan-2-ylpiperazine?
The InChIKey is BCQJQCLKWLCLQD-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H28N4/c1-4-17-14-21(12-13-22(17)16(2)3)15-19-10-11-20-23(19)18-8-6-5-7-9-18/h5-11,16-17H,4,12-15H2,1-3H3/t17-/m0/s1.
What are the key properties of (2S)-2-ethyl-4-[(2-phenylpyrazol-3-yl)methyl]-1-propan-2-ylpiperazine?
(2S)-2-ethyl-4-[(2-phenylpyrazol-3-yl)methyl]-1-propan-2-ylpiperazine has a molecular weight of 312.46 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-4-[(2-phenylpyrazol-3-yl)methyl]-1-propan-2-ylpiperazine is sourced from PubChem (CID 95714353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).