1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine

C21H24FN5 — CID 29025748

IUPAC1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine
SMILESCn1cc(CN2CCN(Cc3cccnc3)CC2)c(-c2ccccc2F)n1
InChIInChI=1S/C21H24FN5/c1-25-15-18(21(24-25)19-6-2-3-7-20(19)22)16-27-11-9-26(10-12-27)14-17-5-4-8-23-13-17/h2-8,13,15H,9-12,14,16H2,1H3
InChIKeyQTIHSWASKCPAPC-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.94
Rot. Bonds5

About 1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine

1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine (PubChem CID 29025748) has the molecular formula C21H24FN5 and a molecular weight of 365.46 g/mol. Its IUPAC name is 1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine
PubChem CID29025748
Molecular FormulaC21H24FN5
Molecular Weight365.46 g/mol
Exact Mass365.20
IUPAC Name1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine
SMILESCn1cc(CN2CCN(Cc3cccnc3)CC2)c(-c2ccccc2F)n1
InChIInChI=1S/C21H24FN5/c1-25-15-18(21(24-25)19-6-2-3-7-20(19)22)16-27-11-9-26(10-12-27)14-17-5-4-8-23-13-17/h2-8,13,15H,9-12,14,16H2,1H3
InChIKeyQTIHSWASKCPAPC-UHFFFAOYSA-N
XLogP2.94
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine?
The IUPAC name of 1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine (CID 29025748) is 1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine.
What is the SMILES notation for 1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine?
The canonical SMILES for 1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine is Cn1cc(CN2CCN(Cc3cccnc3)CC2)c(-c2ccccc2F)n1.
What is the InChIKey of 1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine?
The InChIKey is QTIHSWASKCPAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5/c1-25-15-18(21(24-25)19-6-2-3-7-20(19)22)16-27-11-9-26(10-12-27)14-17-5-4-8-23-13-17/h2-8,13,15H,9-12,14,16H2,1H3.
What are the key properties of 1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine?
1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine has a molecular weight of 365.46 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine is sourced from PubChem (CID 29025748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).