N-[4-(4-benzylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]-3-fluorobenzamide

C28H26FN5O2 — CID 2892408

IUPACN-[4-(4-benzylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]-3-fluorobenzamide
SMILESO=C(Nc1c(C(=O)N2CCN(Cc3ccccc3)CC2)cnn1-c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C28H26FN5O2/c29-23-11-7-10-22(18-23)27(35)31-26-25(19-30-34(26)24-12-5-2-6-13-24)28(36)33-16-14-32(15-17-33)20-21-8-3-1-4-9-21/h1-13,18-19H,14-17,20H2,(H,31,35)
InChIKeyWWVBUVFCKBDPLA-UHFFFAOYSA-N
MW483.55 g/mol
LogP4.22
Rot. Bonds6

About N-[4-(4-benzylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]-3-fluorobenzamide

N-[4-(4-benzylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]-3-fluorobenzamide (PubChem CID 2892408) has the molecular formula C28H26FN5O2 and a molecular weight of 483.55 g/mol. Its IUPAC name is N-[4-(4-benzylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]-3-fluorobenzamide
PubChem CID2892408
Molecular FormulaC28H26FN5O2
Molecular Weight483.55 g/mol
Exact Mass483.21
IUPAC NameN-[4-(4-benzylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]-3-fluorobenzamide
SMILESO=C(Nc1c(C(=O)N2CCN(Cc3ccccc3)CC2)cnn1-c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C28H26FN5O2/c29-23-11-7-10-22(18-23)27(35)31-26-25(19-30-34(26)24-12-5-2-6-13-24)28(36)33-16-14-32(15-17-33)20-21-8-3-1-4-9-21/h1-13,18-19H,14-17,20H2,(H,31,35)
InChIKeyWWVBUVFCKBDPLA-UHFFFAOYSA-N
XLogP4.22
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]-3-fluorobenzamide?
The IUPAC name of N-[4-(4-benzylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]-3-fluorobenzamide (CID 2892408) is N-[4-(4-benzylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[4-(4-benzylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]-3-fluorobenzamide?
The canonical SMILES for N-[4-(4-benzylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]-3-fluorobenzamide is O=C(Nc1c(C(=O)N2CCN(Cc3ccccc3)CC2)cnn1-c1ccccc1)c1cccc(F)c1.
What is the InChIKey of N-[4-(4-benzylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]-3-fluorobenzamide?
The InChIKey is WWVBUVFCKBDPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O2/c29-23-11-7-10-22(18-23)27(35)31-26-25(19-30-34(26)24-12-5-2-6-13-24)28(36)33-16-14-32(15-17-33)20-21-8-3-1-4-9-21/h1-13,18-19H,14-17,20H2,(H,31,35).
What are the key properties of N-[4-(4-benzylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]-3-fluorobenzamide?
N-[4-(4-benzylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]-3-fluorobenzamide has a molecular weight of 483.55 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]-3-fluorobenzamide is sourced from PubChem (CID 2892408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).