1-(2-methoxy-5-methylphenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)pyrazole-3-carboxamide

C23H26N4O2 — CID 119041491

IUPAC1-(2-methoxy-5-methylphenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)pyrazole-3-carboxamide
SMILESCCCN1Cc2cccc(NC(=O)c3ccn(-c4cc(C)ccc4OC)n3)c2C1
InChIInChI=1S/C23H26N4O2/c1-4-11-26-14-17-6-5-7-19(18(17)15-26)24-23(28)20-10-12-27(25-20)21-13-16(2)8-9-22(21)29-3/h5-10,12-13H,4,11,14-15H2,1-3H3,(H,24,28)
InChIKeyJZHXFIFSQUHJBO-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.17
Rot. Bonds6

About 1-(2-methoxy-5-methylphenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)pyrazole-3-carboxamide

1-(2-methoxy-5-methylphenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)pyrazole-3-carboxamide (PubChem CID 119041491) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)pyrazole-3-carboxamide
PubChem CID119041491
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-(2-methoxy-5-methylphenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)pyrazole-3-carboxamide
SMILESCCCN1Cc2cccc(NC(=O)c3ccn(-c4cc(C)ccc4OC)n3)c2C1
InChIInChI=1S/C23H26N4O2/c1-4-11-26-14-17-6-5-7-19(18(17)15-26)24-23(28)20-10-12-27(25-20)21-13-16(2)8-9-22(21)29-3/h5-10,12-13H,4,11,14-15H2,1-3H3,(H,24,28)
InChIKeyJZHXFIFSQUHJBO-UHFFFAOYSA-N
XLogP4.17
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(ethylsulfonylamino)phenyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 48678676
1-(2-methoxy-5-methylphenyl)-N-(2-phenylcyclopropyl)pyrazole-3-carboxamide
CID 48663196
N-[3-(difluoromethoxy)phenyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 48659408
1-(2-methoxy-5-methylphenyl)-N-[2-(2-methoxyphenoxy)ethyl]pyrazole-3-carboxamide
CID 48652307
1-(2-methoxy-5-methylphenyl)-N-(1-phenylpyrazol-4-yl)pyrazole-3-carboxamide
CID 71936851
1-(2-methoxy-5-methylphenyl)-N-[3-(methylamino)propyl]pyrazole-3-carboxamide
CID 119430412
N-[(1-hydroxycyclobutyl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 111445526
1-(2-methoxy-5-methylphenyl)-N-(2-methylphenyl)sulfonylpyrazole-3-carboxamide
CID 48647201
N-(4-aminocyclohexyl)-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 119475309
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 120948333
2-[[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]-methylamino]propanoic acid
CID 119209514
N-(2-hydroxyethyl)-1-(2-methoxy-5-methylphenyl)-N-methylpyrazole-3-carboxamide
CID 110907831

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)pyrazole-3-carboxamide (CID 119041491) is 1-(2-methoxy-5-methylphenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)pyrazole-3-carboxamide is CCCN1Cc2cccc(NC(=O)c3ccn(-c4cc(C)ccc4OC)n3)c2C1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)pyrazole-3-carboxamide?
The InChIKey is JZHXFIFSQUHJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-4-11-26-14-17-6-5-7-19(18(17)15-26)24-23(28)20-10-12-27(25-20)21-13-16(2)8-9-22(21)29-3/h5-10,12-13H,4,11,14-15H2,1-3H3,(H,24,28).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)pyrazole-3-carboxamide?
1-(2-methoxy-5-methylphenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)pyrazole-3-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 119041491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).