N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]-2-propan-2-ylbenzamide

C21H21N5O — CID 175755919

IUPACN-[1-(1-methylpyrazol-4-yl)indazol-6-yl]-2-propan-2-ylbenzamide
SMILESCC(C)c1ccccc1C(=O)Nc1ccc2cnn(-c3cnn(C)c3)c2c1
InChIInChI=1S/C21H21N5O/c1-14(2)18-6-4-5-7-19(18)21(27)24-16-9-8-15-11-23-26(20(15)10-16)17-12-22-25(3)13-17/h4-14H,1-3H3,(H,24,27)
InChIKeyOEFMCVSPUFXUTC-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.13
Rot. Bonds4

About N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]-2-propan-2-ylbenzamide

N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]-2-propan-2-ylbenzamide (PubChem CID 175755919) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]-2-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[1-(1-methylpyrazol-4-yl)indazol-6-yl]-2-propan-2-ylbenzamide
PubChem CID175755919
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC NameN-[1-(1-methylpyrazol-4-yl)indazol-6-yl]-2-propan-2-ylbenzamide
SMILESCC(C)c1ccccc1C(=O)Nc1ccc2cnn(-c3cnn(C)c3)c2c1
InChIInChI=1S/C21H21N5O/c1-14(2)18-6-4-5-7-19(18)21(27)24-16-9-8-15-11-23-26(20(15)10-16)17-12-22-25(3)13-17/h4-14H,1-3H3,(H,24,27)
InChIKeyOEFMCVSPUFXUTC-UHFFFAOYSA-N
XLogP4.13
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]-2-propan-2-ylbenzamide?
The IUPAC name of N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]-2-propan-2-ylbenzamide (CID 175755919) is N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]-2-propan-2-ylbenzamide.
What is the SMILES notation for N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]-2-propan-2-ylbenzamide?
The canonical SMILES for N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]-2-propan-2-ylbenzamide is CC(C)c1ccccc1C(=O)Nc1ccc2cnn(-c3cnn(C)c3)c2c1.
What is the InChIKey of N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]-2-propan-2-ylbenzamide?
The InChIKey is OEFMCVSPUFXUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-14(2)18-6-4-5-7-19(18)21(27)24-16-9-8-15-11-23-26(20(15)10-16)17-12-22-25(3)13-17/h4-14H,1-3H3,(H,24,27).
What are the key properties of N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]-2-propan-2-ylbenzamide?
N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]-2-propan-2-ylbenzamide has a molecular weight of 359.43 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]-2-propan-2-ylbenzamide is sourced from PubChem (CID 175755919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).