3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-4-fluorobenzamide

C16H20FN5O — CID 164879165

IUPAC3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-4-fluorobenzamide
SMILESCc1n[nH]c(C)c1N1CCN(c2cc(C(N)=O)ccc2F)CC1
InChIInChI=1S/C16H20FN5O/c1-10-15(11(2)20-19-10)22-7-5-21(6-8-22)14-9-12(16(18)23)3-4-13(14)17/h3-4,9H,5-8H2,1-2H3,(H2,18,23)(H,19,20)
InChIKeyIGELZJRBPKTTIW-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.59
Rot. Bonds3

About 3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-4-fluorobenzamide

3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-4-fluorobenzamide (PubChem CID 164879165) has the molecular formula C16H20FN5O and a molecular weight of 317.37 g/mol. Its IUPAC name is 3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-4-fluorobenzamide
PubChem CID164879165
Molecular FormulaC16H20FN5O
Molecular Weight317.37 g/mol
Exact Mass317.17
IUPAC Name3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-4-fluorobenzamide
SMILESCc1n[nH]c(C)c1N1CCN(c2cc(C(N)=O)ccc2F)CC1
InChIInChI=1S/C16H20FN5O/c1-10-15(11(2)20-19-10)22-7-5-21(6-8-22)14-9-12(16(18)23)3-4-13(14)17/h3-4,9H,5-8H2,1-2H3,(H2,18,23)(H,19,20)
InChIKeyIGELZJRBPKTTIW-UHFFFAOYSA-N
XLogP1.59
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-4-fluorobenzamide?
The IUPAC name of 3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-4-fluorobenzamide (CID 164879165) is 3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-4-fluorobenzamide.
What is the SMILES notation for 3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-4-fluorobenzamide?
The canonical SMILES for 3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-4-fluorobenzamide is Cc1n[nH]c(C)c1N1CCN(c2cc(C(N)=O)ccc2F)CC1.
What is the InChIKey of 3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-4-fluorobenzamide?
The InChIKey is IGELZJRBPKTTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O/c1-10-15(11(2)20-19-10)22-7-5-21(6-8-22)14-9-12(16(18)23)3-4-13(14)17/h3-4,9H,5-8H2,1-2H3,(H2,18,23)(H,19,20).
What are the key properties of 3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-4-fluorobenzamide?
3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-4-fluorobenzamide has a molecular weight of 317.37 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-4-fluorobenzamide is sourced from PubChem (CID 164879165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).