N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(2H-indazol-3-yl)acetamide

C16H19N5O — CID 95189916

IUPACN-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(2H-indazol-3-yl)acetamide
SMILESCC[C@@H](C)n1nccc1NC(=O)Cc1[nH]nc2ccccc12
InChIInChI=1S/C16H19N5O/c1-3-11(2)21-15(8-9-17-21)18-16(22)10-14-12-6-4-5-7-13(12)19-20-14/h4-9,11H,3,10H2,1-2H3,(H,18,22)(H,19,20)/t11-/m1/s1
InChIKeyXSKCVTRHPFLNKO-LLVKDONJSA-N
MW297.36 g/mol
LogP2.91
Rot. Bonds5

About N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(2H-indazol-3-yl)acetamide

N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(2H-indazol-3-yl)acetamide (PubChem CID 95189916) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(2H-indazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(2H-indazol-3-yl)acetamide
PubChem CID95189916
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(2H-indazol-3-yl)acetamide
SMILESCC[C@@H](C)n1nccc1NC(=O)Cc1[nH]nc2ccccc12
InChIInChI=1S/C16H19N5O/c1-3-11(2)21-15(8-9-17-21)18-16(22)10-14-12-6-4-5-7-13(12)19-20-14/h4-9,11H,3,10H2,1-2H3,(H,18,22)(H,19,20)/t11-/m1/s1
InChIKeyXSKCVTRHPFLNKO-LLVKDONJSA-N
XLogP2.91
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,3-benzothiazol-2-yl)-N-(2-butan-2-ylpyrazol-3-yl)pentanamide
CID 134013424
3-[[2-(2H-indazol-3-yl)acetyl]amino]butanoic acid
CID 119221464
N-(2-butan-2-ylpyrazol-3-yl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 78840816
N-(2-butan-2-ylpyrazol-3-yl)-3-hydroxy-3-phenylbutanamide
CID 110025212
N-(2-butan-2-ylpyrazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 78778329
(2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylbutanoic acid
CID 119369285
N-[(2R)-2-(ethylamino)propyl]-2-(2H-indazol-3-yl)acetamide;hydrochloride
CID 120652726
[(2S)-1-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]amino]-1-oxopropan-2-yl] 4-oxo-3H-phthalazine-1-carboxylate
CID 8785236
N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[3-(difluoromethoxy)phenyl]acetamide
CID 95615142
N-(2-butan-2-ylpyrazol-3-yl)-2-chlorobenzamide
CID 78793939
N-(2-butan-2-ylpyrazol-3-yl)-2-(4-methoxyphenoxy)acetamide
CID 43843335
(2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylsulfanylpropanoic acid
CID 121494637

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(2H-indazol-3-yl)acetamide?
The IUPAC name of N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(2H-indazol-3-yl)acetamide (CID 95189916) is N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(2H-indazol-3-yl)acetamide.
What is the SMILES notation for N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(2H-indazol-3-yl)acetamide?
The canonical SMILES for N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(2H-indazol-3-yl)acetamide is CC[C@@H](C)n1nccc1NC(=O)Cc1[nH]nc2ccccc12.
What is the InChIKey of N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(2H-indazol-3-yl)acetamide?
The InChIKey is XSKCVTRHPFLNKO-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19N5O/c1-3-11(2)21-15(8-9-17-21)18-16(22)10-14-12-6-4-5-7-13(12)19-20-14/h4-9,11H,3,10H2,1-2H3,(H,18,22)(H,19,20)/t11-/m1/s1.
What are the key properties of N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(2H-indazol-3-yl)acetamide?
N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(2H-indazol-3-yl)acetamide has a molecular weight of 297.36 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(2H-indazol-3-yl)acetamide is sourced from PubChem (CID 95189916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).