N-[1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]acetamide

C25H28FN5O2 — CID 46334951

IUPACN-[1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]acetamide
SMILESCCN1CCN(C(=O)c2ccc(-n3nc(C)c(-c4ccc(F)cc4)c3NC(C)=O)cc2)CC1
InChIInChI=1S/C25H28FN5O2/c1-4-29-13-15-30(16-14-29)25(33)20-7-11-22(12-8-20)31-24(27-18(3)32)23(17(2)28-31)19-5-9-21(26)10-6-19/h5-12H,4,13-16H2,1-3H3,(H,27,32)
InChIKeyUSONLTYSPSTWBO-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.72
Rot. Bonds5

About N-[1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]acetamide

N-[1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]acetamide (PubChem CID 46334951) has the molecular formula C25H28FN5O2 and a molecular weight of 449.53 g/mol. Its IUPAC name is N-[1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]acetamide
PubChem CID46334951
Molecular FormulaC25H28FN5O2
Molecular Weight449.53 g/mol
Exact Mass449.22
IUPAC NameN-[1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]acetamide
SMILESCCN1CCN(C(=O)c2ccc(-n3nc(C)c(-c4ccc(F)cc4)c3NC(C)=O)cc2)CC1
InChIInChI=1S/C25H28FN5O2/c1-4-29-13-15-30(16-14-29)25(33)20-7-11-22(12-8-20)31-24(27-18(3)32)23(17(2)28-31)19-5-9-21(26)10-6-19/h5-12H,4,13-16H2,1-3H3,(H,27,32)
InChIKeyUSONLTYSPSTWBO-UHFFFAOYSA-N
XLogP3.72
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]acetamide?
The IUPAC name of N-[1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]acetamide (CID 46334951) is N-[1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]acetamide.
What is the SMILES notation for N-[1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]acetamide?
The canonical SMILES for N-[1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]acetamide is CCN1CCN(C(=O)c2ccc(-n3nc(C)c(-c4ccc(F)cc4)c3NC(C)=O)cc2)CC1.
What is the InChIKey of N-[1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]acetamide?
The InChIKey is USONLTYSPSTWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O2/c1-4-29-13-15-30(16-14-29)25(33)20-7-11-22(12-8-20)31-24(27-18(3)32)23(17(2)28-31)19-5-9-21(26)10-6-19/h5-12H,4,13-16H2,1-3H3,(H,27,32).
What are the key properties of N-[1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]acetamide?
N-[1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]acetamide has a molecular weight of 449.53 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]acetamide is sourced from PubChem (CID 46334951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).