N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]acetamide

C20H19N5O — CID 118960270

IUPACN-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2n[nH]c(Cc3ccc(-c4cnn(C)c4)cc3)c2c1
InChIInChI=1S/C20H19N5O/c1-13(26)22-17-7-8-19-18(10-17)20(24-23-19)9-14-3-5-15(6-4-14)16-11-21-25(2)12-16/h3-8,10-12H,9H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyZWTOETHVOACJIW-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.51
Rot. Bonds4

About N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]acetamide

N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]acetamide (PubChem CID 118960270) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]acetamide
PubChem CID118960270
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2n[nH]c(Cc3ccc(-c4cnn(C)c4)cc3)c2c1
InChIInChI=1S/C20H19N5O/c1-13(26)22-17-7-8-19-18(10-17)20(24-23-19)9-14-3-5-15(6-4-14)16-11-21-25(2)12-16/h3-8,10-12H,9H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyZWTOETHVOACJIW-UHFFFAOYSA-N
XLogP3.51
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-4-methyl-6-(1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl)-4,5-dihydro-1H-benzo[b][1,4]diazepin-2(3H)-one
CID 121271792
Mkk7-cov-3
CID 135398122
N-{1-[(1s)-3-(Dimethylamino)-1-Phenylpropyl]-1h-Pyrazol-4-Yl}-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71259491
N-{1-[(1r)-3-(Dimethylamino)-1-Phenylpropyl]-1h-Pyrazol-4-Yl}-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71259555
Dihydropyridone indazole amide 10
CID 11189172
4-(4-fluorophenyl)-N-1H-indazol-5-yl-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxamide
CID 11360518
1-(1h-Indazol-5-Yl)-3-(2-Phenylethyl)urea
CID 56596554
1-[1-(cyclopropylmethyl)-3-(1H-indol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one
CID 132186817
N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71259641
N-[3-[1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazol-4-yl]phenyl]cyclopropanecarboxamide
CID 150533442
N-(1H-indazol-5-yl)acetamide
CID 17164245
N-[3-(1H-indol-2-yl)phenyl]-1-[(1-isopropylpyrazol-4-yl)methyl]nipecotamide
CID 24819222

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]acetamide?
The IUPAC name of N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]acetamide (CID 118960270) is N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]acetamide.
What is the SMILES notation for N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]acetamide?
The canonical SMILES for N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]acetamide is CC(=O)Nc1ccc2n[nH]c(Cc3ccc(-c4cnn(C)c4)cc3)c2c1.
What is the InChIKey of N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]acetamide?
The InChIKey is ZWTOETHVOACJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-13(26)22-17-7-8-19-18(10-17)20(24-23-19)9-14-3-5-15(6-4-14)16-11-21-25(2)12-16/h3-8,10-12H,9H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]acetamide?
N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]acetamide has a molecular weight of 345.41 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]acetamide is sourced from PubChem (CID 118960270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).