N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

C23H26N4O2 — CID 38710456

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1[nH]c2c(c1C)C(=O)CCC2
InChIInChI=1S/C23H26N4O2/c1-14-21-19(11-8-12-20(21)28)24-22(14)23(29)26(4)13-18-15(2)25-27(16(18)3)17-9-6-5-7-10-17/h5-7,9-10,24H,8,11-13H2,1-4H3
InChIKeyVXRYDPHXZSCZMY-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.92
Rot. Bonds4

About N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 38710456) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID38710456
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1[nH]c2c(c1C)C(=O)CCC2
InChIInChI=1S/C23H26N4O2/c1-14-21-19(11-8-12-20(21)28)24-22(14)23(29)26(4)13-18-15(2)25-27(16(18)3)17-9-6-5-7-10-17/h5-7,9-10,24H,8,11-13H2,1-4H3
InChIKeyVXRYDPHXZSCZMY-UHFFFAOYSA-N
XLogP3.92
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 37205010
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 51275522
N,3-dimethyl-N-[3-(2-methylphenoxy)propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 55955402
N-[(4-bromophenyl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 31145392
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56559637
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 33214740
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-pyrrol-1-ylbenzamide
CID 17395620
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 9206070
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 51331839
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylimidazole-4-carboxamide
CID 9462410
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 47006858
3-benzyl-1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-methylurea
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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (CID 38710456) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1[nH]c2c(c1C)C(=O)CCC2.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is VXRYDPHXZSCZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-14-21-19(11-8-12-20(21)28)24-22(14)23(29)26(4)13-18-15(2)25-27(16(18)3)17-9-6-5-7-10-17/h5-7,9-10,24H,8,11-13H2,1-4H3.
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 38710456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).