(2-methylpyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone

C15H18N4O — CID 1219801

IUPAC(2-methylpyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCn1nccc1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H18N4O/c1-17-14(7-8-16-17)15(20)19-11-9-18(10-12-19)13-5-3-2-4-6-13/h2-8H,9-12H2,1H3
InChIKeyMOHLINXBNXLLRQ-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.38
Rot. Bonds2

About (2-methylpyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone

(2-methylpyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 1219801) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID1219801
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name(2-methylpyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCn1nccc1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H18N4O/c1-17-14(7-8-16-17)15(20)19-11-9-18(10-12-19)13-5-3-2-4-6-13/h2-8H,9-12H2,1H3
InChIKeyMOHLINXBNXLLRQ-UHFFFAOYSA-N
XLogP1.38
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (2-methylpyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone (CID 1219801) is (2-methylpyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone is Cn1nccc1C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (2-methylpyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is MOHLINXBNXLLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-17-14(7-8-16-17)15(20)19-11-9-18(10-12-19)13-5-3-2-4-6-13/h2-8H,9-12H2,1H3.
What are the key properties of (2-methylpyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone?
(2-methylpyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 270.34 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 1219801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).