N-[1-(2-methylpropyl)pyrazol-4-yl]-2-oxo-1,3-dihydroindole-6-carboxamide

C16H18N4O2 — CID 100655816

IUPACN-[1-(2-methylpropyl)pyrazol-4-yl]-2-oxo-1,3-dihydroindole-6-carboxamide
SMILESCC(C)Cn1cc(NC(=O)c2ccc3c(c2)NC(=O)C3)cn1
InChIInChI=1S/C16H18N4O2/c1-10(2)8-20-9-13(7-17-20)18-16(22)12-4-3-11-6-15(21)19-14(11)5-12/h3-5,7,9-10H,6,8H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyCWTURIWHRQXWTM-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.29
Rot. Bonds4

About N-[1-(2-methylpropyl)pyrazol-4-yl]-2-oxo-1,3-dihydroindole-6-carboxamide

N-[1-(2-methylpropyl)pyrazol-4-yl]-2-oxo-1,3-dihydroindole-6-carboxamide (PubChem CID 100655816) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[1-(2-methylpropyl)pyrazol-4-yl]-2-oxo-1,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methylpropyl)pyrazol-4-yl]-2-oxo-1,3-dihydroindole-6-carboxamide
PubChem CID100655816
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-[1-(2-methylpropyl)pyrazol-4-yl]-2-oxo-1,3-dihydroindole-6-carboxamide
SMILESCC(C)Cn1cc(NC(=O)c2ccc3c(c2)NC(=O)C3)cn1
InChIInChI=1S/C16H18N4O2/c1-10(2)8-20-9-13(7-17-20)18-16(22)12-4-3-11-6-15(21)19-14(11)5-12/h3-5,7,9-10H,6,8H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyCWTURIWHRQXWTM-UHFFFAOYSA-N
XLogP2.29
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-N-(3-propan-2-yloxypropyl)-1,3-dihydroindole-6-carboxamide
CID 102712158
2-oxo-N-(4-sulfanylphenyl)-1,3-dihydroindole-6-carboxamide
CID 162521066
N-(4-methyl-3-pyridinyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712374
N-butyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711852
(2R)-4-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid
CID 102710687
N-heptan-2-yl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711809
3-methyl-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid
CID 102710806
N-[(1-methylcyclopropyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737430
N,N-bis(2-methylpropyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712015
2-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-dihydroindole-6-carboxamide
CID 102712241
N-(2-cyclopropyl-2-hydroxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712371
2-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid
CID 102710796

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpropyl)pyrazol-4-yl]-2-oxo-1,3-dihydroindole-6-carboxamide?
The IUPAC name of N-[1-(2-methylpropyl)pyrazol-4-yl]-2-oxo-1,3-dihydroindole-6-carboxamide (CID 100655816) is N-[1-(2-methylpropyl)pyrazol-4-yl]-2-oxo-1,3-dihydroindole-6-carboxamide.
What is the SMILES notation for N-[1-(2-methylpropyl)pyrazol-4-yl]-2-oxo-1,3-dihydroindole-6-carboxamide?
The canonical SMILES for N-[1-(2-methylpropyl)pyrazol-4-yl]-2-oxo-1,3-dihydroindole-6-carboxamide is CC(C)Cn1cc(NC(=O)c2ccc3c(c2)NC(=O)C3)cn1.
What is the InChIKey of N-[1-(2-methylpropyl)pyrazol-4-yl]-2-oxo-1,3-dihydroindole-6-carboxamide?
The InChIKey is CWTURIWHRQXWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-10(2)8-20-9-13(7-17-20)18-16(22)12-4-3-11-6-15(21)19-14(11)5-12/h3-5,7,9-10H,6,8H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of N-[1-(2-methylpropyl)pyrazol-4-yl]-2-oxo-1,3-dihydroindole-6-carboxamide?
N-[1-(2-methylpropyl)pyrazol-4-yl]-2-oxo-1,3-dihydroindole-6-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropyl)pyrazol-4-yl]-2-oxo-1,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 100655816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).