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

C18H25N5O — CID 56814034

IUPAC(1-tert-butyl-5-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1c(C(=O)N2CCN(c3ccccn3)CC2)cnn1C(C)(C)C
InChIInChI=1S/C18H25N5O/c1-14-15(13-20-23(14)18(2,3)4)17(24)22-11-9-21(10-12-22)16-7-5-6-8-19-16/h5-8,13H,9-12H2,1-4H3
InChIKeyPRBMRNRBYMZOMI-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.30
Rot. Bonds2

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

(1-tert-butyl-5-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 56814034) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is (1-tert-butyl-5-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-tert-butyl-5-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID56814034
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name(1-tert-butyl-5-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1c(C(=O)N2CCN(c3ccccn3)CC2)cnn1C(C)(C)C
InChIInChI=1S/C18H25N5O/c1-14-15(13-20-23(14)18(2,3)4)17(24)22-11-9-21(10-12-22)16-7-5-6-8-19-16/h5-8,13H,9-12H2,1-4H3
InChIKeyPRBMRNRBYMZOMI-UHFFFAOYSA-N
XLogP2.30
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-5-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (1-tert-butyl-5-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 56814034) is (1-tert-butyl-5-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-tert-butyl-5-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1-tert-butyl-5-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is Cc1c(C(=O)N2CCN(c3ccccn3)CC2)cnn1C(C)(C)C.
What is the InChIKey of (1-tert-butyl-5-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is PRBMRNRBYMZOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14-15(13-20-23(14)18(2,3)4)17(24)22-11-9-21(10-12-22)16-7-5-6-8-19-16/h5-8,13H,9-12H2,1-4H3.
What are the key properties of (1-tert-butyl-5-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(1-tert-butyl-5-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 327.43 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-5-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 56814034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).