5-cyclopropyl-1-(1-methylpyrazol-4-yl)-2-phenylpiperazine

C17H22N4 — CID 64936178

IUPAC5-cyclopropyl-1-(1-methylpyrazol-4-yl)-2-phenylpiperazine
SMILESCn1cc(N2CC(C3CC3)NCC2c2ccccc2)cn1
InChIInChI=1S/C17H22N4/c1-20-11-15(9-19-20)21-12-16(13-7-8-13)18-10-17(21)14-5-3-2-4-6-14/h2-6,9,11,13,16-18H,7-8,10,12H2,1H3
InChIKeyNMQHARJLQWPAIA-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.35
Rot. Bonds3

About 5-cyclopropyl-1-(1-methylpyrazol-4-yl)-2-phenylpiperazine

5-cyclopropyl-1-(1-methylpyrazol-4-yl)-2-phenylpiperazine (PubChem CID 64936178) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 5-cyclopropyl-1-(1-methylpyrazol-4-yl)-2-phenylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-(1-methylpyrazol-4-yl)-2-phenylpiperazine
PubChem CID64936178
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name5-cyclopropyl-1-(1-methylpyrazol-4-yl)-2-phenylpiperazine
SMILESCn1cc(N2CC(C3CC3)NCC2c2ccccc2)cn1
InChIInChI=1S/C17H22N4/c1-20-11-15(9-19-20)21-12-16(13-7-8-13)18-10-17(21)14-5-3-2-4-6-14/h2-6,9,11,13,16-18H,7-8,10,12H2,1H3
InChIKeyNMQHARJLQWPAIA-UHFFFAOYSA-N
XLogP2.35
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(1-methylpyrazol-4-yl)-2-phenylpiperazine?
The IUPAC name of 5-cyclopropyl-1-(1-methylpyrazol-4-yl)-2-phenylpiperazine (CID 64936178) is 5-cyclopropyl-1-(1-methylpyrazol-4-yl)-2-phenylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-(1-methylpyrazol-4-yl)-2-phenylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-(1-methylpyrazol-4-yl)-2-phenylpiperazine is Cn1cc(N2CC(C3CC3)NCC2c2ccccc2)cn1.
What is the InChIKey of 5-cyclopropyl-1-(1-methylpyrazol-4-yl)-2-phenylpiperazine?
The InChIKey is NMQHARJLQWPAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-20-11-15(9-19-20)21-12-16(13-7-8-13)18-10-17(21)14-5-3-2-4-6-14/h2-6,9,11,13,16-18H,7-8,10,12H2,1H3.
What are the key properties of 5-cyclopropyl-1-(1-methylpyrazol-4-yl)-2-phenylpiperazine?
5-cyclopropyl-1-(1-methylpyrazol-4-yl)-2-phenylpiperazine has a molecular weight of 282.39 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(1-methylpyrazol-4-yl)-2-phenylpiperazine is sourced from PubChem (CID 64936178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).