1-(1-methoxypropan-2-yl)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperazine

C19H28N4O — CID 91646987

IUPAC1-(1-methoxypropan-2-yl)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperazine
SMILESCOCC(C)N1CCN(Cc2cn(C)nc2-c2ccccc2)CC1
InChIInChI=1S/C19H28N4O/c1-16(15-24-3)23-11-9-22(10-12-23)14-18-13-21(2)20-19(18)17-7-5-4-6-8-17/h4-8,13,16H,9-12,14-15H2,1-3H3
InChIKeyXGJJDIKISMMMLW-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.24
Rot. Bonds6

About 1-(1-methoxypropan-2-yl)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperazine

1-(1-methoxypropan-2-yl)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperazine (PubChem CID 91646987) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperazine
PubChem CID91646987
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name1-(1-methoxypropan-2-yl)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperazine
SMILESCOCC(C)N1CCN(Cc2cn(C)nc2-c2ccccc2)CC1
InChIInChI=1S/C19H28N4O/c1-16(15-24-3)23-11-9-22(10-12-23)14-18-13-21(2)20-19(18)17-7-5-4-6-8-17/h4-8,13,16H,9-12,14-15H2,1-3H3
InChIKeyXGJJDIKISMMMLW-UHFFFAOYSA-N
XLogP2.24
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 1-(1-methoxypropan-2-yl)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperazine (CID 91646987) is 1-(1-methoxypropan-2-yl)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperazine is COCC(C)N1CCN(Cc2cn(C)nc2-c2ccccc2)CC1.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperazine?
The InChIKey is XGJJDIKISMMMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-16(15-24-3)23-11-9-22(10-12-23)14-18-13-21(2)20-19(18)17-7-5-4-6-8-17/h4-8,13,16H,9-12,14-15H2,1-3H3.
What are the key properties of 1-(1-methoxypropan-2-yl)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperazine?
1-(1-methoxypropan-2-yl)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperazine has a molecular weight of 328.46 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 91646987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).