N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-methyl-2,3-dihydroindole-1-carboxamide

C19H26N4O — CID 87007925

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-methyl-2,3-dihydroindole-1-carboxamide
SMILESCc1cc(C)n(CC(C)CNC(=O)N2CC(C)c3ccccc32)n1
InChIInChI=1S/C19H26N4O/c1-13(11-23-16(4)9-15(3)21-23)10-20-19(24)22-12-14(2)17-7-5-6-8-18(17)22/h5-9,13-14H,10-12H2,1-4H3,(H,20,24)
InChIKeyHIXRYEZSENVDEA-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.47
Rot. Bonds4

About N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-methyl-2,3-dihydroindole-1-carboxamide

N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-methyl-2,3-dihydroindole-1-carboxamide (PubChem CID 87007925) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-methyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-methyl-2,3-dihydroindole-1-carboxamide
PubChem CID87007925
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-methyl-2,3-dihydroindole-1-carboxamide
SMILESCc1cc(C)n(CC(C)CNC(=O)N2CC(C)c3ccccc32)n1
InChIInChI=1S/C19H26N4O/c1-13(11-23-16(4)9-15(3)21-23)10-20-19(24)22-12-14(2)17-7-5-6-8-18(17)22/h5-9,13-14H,10-12H2,1-4H3,(H,20,24)
InChIKeyHIXRYEZSENVDEA-UHFFFAOYSA-N
XLogP3.47
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-methyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-methyl-2,3-dihydroindole-1-carboxamide (CID 87007925) is N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-methyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-methyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-methyl-2,3-dihydroindole-1-carboxamide is Cc1cc(C)n(CC(C)CNC(=O)N2CC(C)c3ccccc32)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-methyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is HIXRYEZSENVDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-13(11-23-16(4)9-15(3)21-23)10-20-19(24)22-12-14(2)17-7-5-6-8-18(17)22/h5-9,13-14H,10-12H2,1-4H3,(H,20,24).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-methyl-2,3-dihydroindole-1-carboxamide?
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-methyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-methyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 87007925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).