N-[(6-hydroxynaphthalen-2-yl)methyl]-1-phenyl-5-propylpyrazole-4-carboxamide

C24H23N3O2 — CID 11463284

IUPACN-[(6-hydroxynaphthalen-2-yl)methyl]-1-phenyl-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)NCc2ccc3cc(O)ccc3c2)cnn1-c1ccccc1
InChIInChI=1S/C24H23N3O2/c1-2-6-23-22(16-26-27(23)20-7-4-3-5-8-20)24(29)25-15-17-9-10-19-14-21(28)12-11-18(19)13-17/h3-5,7-14,16,28H,2,6,15H2,1H3,(H,25,29)
InChIKeyKPZABPMXLGNLDE-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.61
Rot. Bonds6

About N-[(6-hydroxynaphthalen-2-yl)methyl]-1-phenyl-5-propylpyrazole-4-carboxamide

N-[(6-hydroxynaphthalen-2-yl)methyl]-1-phenyl-5-propylpyrazole-4-carboxamide (PubChem CID 11463284) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[(6-hydroxynaphthalen-2-yl)methyl]-1-phenyl-5-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-hydroxynaphthalen-2-yl)methyl]-1-phenyl-5-propylpyrazole-4-carboxamide
PubChem CID11463284
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC NameN-[(6-hydroxynaphthalen-2-yl)methyl]-1-phenyl-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)NCc2ccc3cc(O)ccc3c2)cnn1-c1ccccc1
InChIInChI=1S/C24H23N3O2/c1-2-6-23-22(16-26-27(23)20-7-4-3-5-8-20)24(29)25-15-17-9-10-19-14-21(28)12-11-18(19)13-17/h3-5,7-14,16,28H,2,6,15H2,1H3,(H,25,29)
InChIKeyKPZABPMXLGNLDE-UHFFFAOYSA-N
XLogP4.61
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(6-hydroxynaphthalen-2-yl)methyl]-1-phenyl-5-propylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(6-hydroxynaphthalen-2-yl)methyl]-1-phenyl-5-propylpyrazole-4-carboxamide?
The IUPAC name of N-[(6-hydroxynaphthalen-2-yl)methyl]-1-phenyl-5-propylpyrazole-4-carboxamide (CID 11463284) is N-[(6-hydroxynaphthalen-2-yl)methyl]-1-phenyl-5-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-hydroxynaphthalen-2-yl)methyl]-1-phenyl-5-propylpyrazole-4-carboxamide?
The canonical SMILES for N-[(6-hydroxynaphthalen-2-yl)methyl]-1-phenyl-5-propylpyrazole-4-carboxamide is CCCc1c(C(=O)NCc2ccc3cc(O)ccc3c2)cnn1-c1ccccc1.
What is the InChIKey of N-[(6-hydroxynaphthalen-2-yl)methyl]-1-phenyl-5-propylpyrazole-4-carboxamide?
The InChIKey is KPZABPMXLGNLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-2-6-23-22(16-26-27(23)20-7-4-3-5-8-20)24(29)25-15-17-9-10-19-14-21(28)12-11-18(19)13-17/h3-5,7-14,16,28H,2,6,15H2,1H3,(H,25,29).
What are the key properties of N-[(6-hydroxynaphthalen-2-yl)methyl]-1-phenyl-5-propylpyrazole-4-carboxamide?
N-[(6-hydroxynaphthalen-2-yl)methyl]-1-phenyl-5-propylpyrazole-4-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-hydroxynaphthalen-2-yl)methyl]-1-phenyl-5-propylpyrazole-4-carboxamide is sourced from PubChem (CID 11463284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).