N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-1-phenylpyrazole-3-carboxamide

C24H26FN5O2 — CID 78902413

IUPACN-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)nn1-c1ccccc1
InChIInChI=1S/C24H26FN5O2/c1-18-17-22(27-30(18)21-5-3-2-4-6-21)24(32)26-12-11-23(31)29-15-13-28(14-16-29)20-9-7-19(25)8-10-20/h2-10,17H,11-16H2,1H3,(H,26,32)
InChIKeyGCEWIYXSAYMYGV-UHFFFAOYSA-N
MW435.50 g/mol
LogP2.79
Rot. Bonds6

About N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-1-phenylpyrazole-3-carboxamide

N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-1-phenylpyrazole-3-carboxamide (PubChem CID 78902413) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-1-phenylpyrazole-3-carboxamide
PubChem CID78902413
Molecular FormulaC24H26FN5O2
Molecular Weight435.50 g/mol
Exact Mass435.21
IUPAC NameN-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)nn1-c1ccccc1
InChIInChI=1S/C24H26FN5O2/c1-18-17-22(27-30(18)21-5-3-2-4-6-21)24(32)26-12-11-23(31)29-15-13-28(14-16-29)20-9-7-19(25)8-10-20/h2-10,17H,11-16H2,1H3,(H,26,32)
InChIKeyGCEWIYXSAYMYGV-UHFFFAOYSA-N
XLogP2.79
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-1-phenylpyrazole-3-carboxamide (CID 78902413) is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-1-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)nn1-c1ccccc1.
What is the InChIKey of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-1-phenylpyrazole-3-carboxamide?
The InChIKey is GCEWIYXSAYMYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O2/c1-18-17-22(27-30(18)21-5-3-2-4-6-21)24(32)26-12-11-23(31)29-15-13-28(14-16-29)20-9-7-19(25)8-10-20/h2-10,17H,11-16H2,1H3,(H,26,32).
What are the key properties of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-1-phenylpyrazole-3-carboxamide?
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-1-phenylpyrazole-3-carboxamide has a molecular weight of 435.50 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 78902413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).