N-[[4-(1-propylpyrazol-4-yl)phenyl]methyl]-1,3-dihydroisoindole-2-carboxamide

C22H24N4O — CID 68751139

IUPACN-[[4-(1-propylpyrazol-4-yl)phenyl]methyl]-1,3-dihydroisoindole-2-carboxamide
SMILESCCCn1cc(-c2ccc(CNC(=O)N3Cc4ccccc4C3)cc2)cn1
InChIInChI=1S/C22H24N4O/c1-2-11-26-16-21(13-24-26)18-9-7-17(8-10-18)12-23-22(27)25-14-19-5-3-4-6-20(19)15-25/h3-10,13,16H,2,11-12,14-15H2,1H3,(H,23,27)
InChIKeyVIFNRFQZEOGDOP-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.19
Rot. Bonds5

About N-[[4-(1-propylpyrazol-4-yl)phenyl]methyl]-1,3-dihydroisoindole-2-carboxamide

N-[[4-(1-propylpyrazol-4-yl)phenyl]methyl]-1,3-dihydroisoindole-2-carboxamide (PubChem CID 68751139) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[[4-(1-propylpyrazol-4-yl)phenyl]methyl]-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(1-propylpyrazol-4-yl)phenyl]methyl]-1,3-dihydroisoindole-2-carboxamide
PubChem CID68751139
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-[[4-(1-propylpyrazol-4-yl)phenyl]methyl]-1,3-dihydroisoindole-2-carboxamide
SMILESCCCn1cc(-c2ccc(CNC(=O)N3Cc4ccccc4C3)cc2)cn1
InChIInChI=1S/C22H24N4O/c1-2-11-26-16-21(13-24-26)18-9-7-17(8-10-18)12-23-22(27)25-14-19-5-3-4-6-20(19)15-25/h3-10,13,16H,2,11-12,14-15H2,1H3,(H,23,27)
InChIKeyVIFNRFQZEOGDOP-UHFFFAOYSA-N
XLogP4.19
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-propylpyrazol-4-yl)phenyl]methyl]-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of N-[[4-(1-propylpyrazol-4-yl)phenyl]methyl]-1,3-dihydroisoindole-2-carboxamide (CID 68751139) is N-[[4-(1-propylpyrazol-4-yl)phenyl]methyl]-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for N-[[4-(1-propylpyrazol-4-yl)phenyl]methyl]-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for N-[[4-(1-propylpyrazol-4-yl)phenyl]methyl]-1,3-dihydroisoindole-2-carboxamide is CCCn1cc(-c2ccc(CNC(=O)N3Cc4ccccc4C3)cc2)cn1.
What is the InChIKey of N-[[4-(1-propylpyrazol-4-yl)phenyl]methyl]-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is VIFNRFQZEOGDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-2-11-26-16-21(13-24-26)18-9-7-17(8-10-18)12-23-22(27)25-14-19-5-3-4-6-20(19)15-25/h3-10,13,16H,2,11-12,14-15H2,1H3,(H,23,27).
What are the key properties of N-[[4-(1-propylpyrazol-4-yl)phenyl]methyl]-1,3-dihydroisoindole-2-carboxamide?
N-[[4-(1-propylpyrazol-4-yl)phenyl]methyl]-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-propylpyrazol-4-yl)phenyl]methyl]-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 68751139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).