N-[1-[3-[acetyl(methyl)amino]-1-phenylpropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide

C23H24N6O2 — CID 71267378

IUPACN-[1-[3-[acetyl(methyl)amino]-1-phenylpropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
SMILESCC(=O)N(C)CCC(c1ccccc1)n1cc(NC(=O)c2n[nH]c3ccccc23)cn1
InChIInChI=1S/C23H24N6O2/c1-16(30)28(2)13-12-21(17-8-4-3-5-9-17)29-15-18(14-24-29)25-23(31)22-19-10-6-7-11-20(19)26-27-22/h3-11,14-15,21H,12-13H2,1-2H3,(H,25,31)(H,26,27)
InChIKeyNWFDPUICSFEXQM-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.47
Rot. Bonds7

About N-[1-[3-[acetyl(methyl)amino]-1-phenylpropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide

N-[1-[3-[acetyl(methyl)amino]-1-phenylpropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide (PubChem CID 71267378) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-[1-[3-[acetyl(methyl)amino]-1-phenylpropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[3-[acetyl(methyl)amino]-1-phenylpropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
PubChem CID71267378
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC NameN-[1-[3-[acetyl(methyl)amino]-1-phenylpropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
SMILESCC(=O)N(C)CCC(c1ccccc1)n1cc(NC(=O)c2n[nH]c3ccccc23)cn1
InChIInChI=1S/C23H24N6O2/c1-16(30)28(2)13-12-21(17-8-4-3-5-9-17)29-15-18(14-24-29)25-23(31)22-19-10-6-7-11-20(19)26-27-22/h3-11,14-15,21H,12-13H2,1-2H3,(H,25,31)(H,26,27)
InChIKeyNWFDPUICSFEXQM-UHFFFAOYSA-N
XLogP3.47
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(1S)-3-(dimethylamino)-1-phenylpropyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 74983355
2-[4-(1H-indazole-3-carbonylamino)pyrazol-1-yl]acetic acid
CID 61018614
3-[[1-[3-[ethyl(sulfino)amino]-1-phenylpropyl]pyrazol-4-yl]carbamoyl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole
CID 122669350
N-[1-[2-(dimethylamino)-1-phenylethyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 90037346
N-[1-[[4-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71259502
N-(4-propan-2-ylphenyl)-1H-indazole-3-carboxamide
CID 42477807
N-[1-[2-[2-methoxyethyl(methyl)amino]-1-pyridin-3-ylethyl]pyrazol-4-yl]-6-(5-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 71267252
N-(3-acetamidophenyl)-1H-indazole-3-carboxamide
CID 9114494
N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide
CID 154796255
N-(2-phenylbutyl)-1H-indazole-3-carboxamide
CID 42888594
N-(1-propan-2-ylpyrazol-4-yl)-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71267344
N-[1-[[3-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71259606

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[acetyl(methyl)amino]-1-phenylpropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-[3-[acetyl(methyl)amino]-1-phenylpropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide (CID 71267378) is N-[1-[3-[acetyl(methyl)amino]-1-phenylpropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-[3-[acetyl(methyl)amino]-1-phenylpropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-[3-[acetyl(methyl)amino]-1-phenylpropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide is CC(=O)N(C)CCC(c1ccccc1)n1cc(NC(=O)c2n[nH]c3ccccc23)cn1.
What is the InChIKey of N-[1-[3-[acetyl(methyl)amino]-1-phenylpropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide?
The InChIKey is NWFDPUICSFEXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-16(30)28(2)13-12-21(17-8-4-3-5-9-17)29-15-18(14-24-29)25-23(31)22-19-10-6-7-11-20(19)26-27-22/h3-11,14-15,21H,12-13H2,1-2H3,(H,25,31)(H,26,27).
What are the key properties of N-[1-[3-[acetyl(methyl)amino]-1-phenylpropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide?
N-[1-[3-[acetyl(methyl)amino]-1-phenylpropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide has a molecular weight of 416.49 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[acetyl(methyl)amino]-1-phenylpropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 71267378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).