(5-benzyl-1-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C21H23N5O — CID 145287003

IUPAC(5-benzyl-1-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCn1ncc(C(=O)N2CCN(c3ccccn3)CC2)c1Cc1ccccc1
InChIInChI=1S/C21H23N5O/c1-24-19(15-17-7-3-2-4-8-17)18(16-23-24)21(27)26-13-11-25(12-14-26)20-9-5-6-10-22-20/h2-10,16H,11-15H2,1H3
InChIKeyKAVNTCCCBFFGAP-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.37
Rot. Bonds4

About (5-benzyl-1-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(5-benzyl-1-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 145287003) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is (5-benzyl-1-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-benzyl-1-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID145287003
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name(5-benzyl-1-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCn1ncc(C(=O)N2CCN(c3ccccn3)CC2)c1Cc1ccccc1
InChIInChI=1S/C21H23N5O/c1-24-19(15-17-7-3-2-4-8-17)18(16-23-24)21(27)26-13-11-25(12-14-26)20-9-5-6-10-22-20/h2-10,16H,11-15H2,1H3
InChIKeyKAVNTCCCBFFGAP-UHFFFAOYSA-N
XLogP2.37
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-benzyl-5-ethylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 78874273
(1-tert-butyl-5-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 56814034
(1-benzyl-5-ethylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 78874237
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
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(2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 925511
[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109154550
(2-methylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 801097
(4-phenylpiperazin-1-yl)-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone
CID 122174293
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
(1,5-dimethylpyrazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 44757097
[4-(3-chlorophenyl)piperazin-1-yl]-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 55650522
[2-(benzylamino)-6-methylpyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (5-benzyl-1-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (5-benzyl-1-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 145287003) is (5-benzyl-1-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-benzyl-1-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5-benzyl-1-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is Cn1ncc(C(=O)N2CCN(c3ccccn3)CC2)c1Cc1ccccc1.
What is the InChIKey of (5-benzyl-1-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is KAVNTCCCBFFGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-24-19(15-17-7-3-2-4-8-17)18(16-23-24)21(27)26-13-11-25(12-14-26)20-9-5-6-10-22-20/h2-10,16H,11-15H2,1H3.
What are the key properties of (5-benzyl-1-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(5-benzyl-1-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 361.45 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzyl-1-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 145287003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).