1-[1-(4-fluorophenyl)ethyl]-4-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]piperazine

C19H25FN4 — CID 102561846

IUPAC1-[1-(4-fluorophenyl)ethyl]-4-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]piperazine
SMILESCC(c1ccc(F)cc1)N1CCN(c2cc(C3(C)CC3)[nH]n2)CC1
InChIInChI=1S/C19H25FN4/c1-14(15-3-5-16(20)6-4-15)23-9-11-24(12-10-23)18-13-17(21-22-18)19(2)7-8-19/h3-6,13-14H,7-12H2,1-2H3,(H,21,22)
InChIKeyCGVLGDKJJHQVSY-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.48
Rot. Bonds4

About 1-[1-(4-fluorophenyl)ethyl]-4-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]piperazine

1-[1-(4-fluorophenyl)ethyl]-4-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]piperazine (PubChem CID 102561846) has the molecular formula C19H25FN4 and a molecular weight of 328.44 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)ethyl]-4-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)ethyl]-4-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]piperazine
PubChem CID102561846
Molecular FormulaC19H25FN4
Molecular Weight328.44 g/mol
Exact Mass328.21
IUPAC Name1-[1-(4-fluorophenyl)ethyl]-4-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]piperazine
SMILESCC(c1ccc(F)cc1)N1CCN(c2cc(C3(C)CC3)[nH]n2)CC1
InChIInChI=1S/C19H25FN4/c1-14(15-3-5-16(20)6-4-15)23-9-11-24(12-10-23)18-13-17(21-22-18)19(2)7-8-19/h3-6,13-14H,7-12H2,1-2H3,(H,21,22)
InChIKeyCGVLGDKJJHQVSY-UHFFFAOYSA-N
XLogP3.48
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-4-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]piperazine?
The IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-4-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]piperazine (CID 102561846) is 1-[1-(4-fluorophenyl)ethyl]-4-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]piperazine.
What is the SMILES notation for 1-[1-(4-fluorophenyl)ethyl]-4-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]piperazine?
The canonical SMILES for 1-[1-(4-fluorophenyl)ethyl]-4-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]piperazine is CC(c1ccc(F)cc1)N1CCN(c2cc(C3(C)CC3)[nH]n2)CC1.
What is the InChIKey of 1-[1-(4-fluorophenyl)ethyl]-4-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]piperazine?
The InChIKey is CGVLGDKJJHQVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4/c1-14(15-3-5-16(20)6-4-15)23-9-11-24(12-10-23)18-13-17(21-22-18)19(2)7-8-19/h3-6,13-14H,7-12H2,1-2H3,(H,21,22).
What are the key properties of 1-[1-(4-fluorophenyl)ethyl]-4-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]piperazine?
1-[1-(4-fluorophenyl)ethyl]-4-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]piperazine has a molecular weight of 328.44 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)ethyl]-4-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]piperazine is sourced from PubChem (CID 102561846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).