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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Related Compounds

6-cyano-2-methyl-N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]pyridine-3-carboxamide
CID 164587354
N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 175755920
2-chloro-5-cyano-N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]pyridine-3-carboxamide
CID 164587264
3-cyano-2,6-dimethyl-N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]benzamide
CID 164587242
3-cyano-2-propan-2-yl-N-(1-pyridazin-4-ylindazol-6-yl)benzamide
CID 164587334
1-(1-methylpyrazol-4-yl)indazole
CID 154050163
3-cyano-N-[1-(2-morpholin-4-yl-4-pyridinyl)indazol-6-yl]-2-propan-2-ylbenzamide
CID 164586856
(2S,3S)-2-amino-3-hydroxy-N-[1-(3-methylphenyl)indazol-6-yl]butanamide;sulfane;hydrochloride
CID 164969015
(2S)-2-(4-methylpiperazin-1-yl)-N-(1-propan-2-ylindazol-6-yl)propanamide
CID 97212842
2,4-diamino-N-[1-(3-methylphenyl)indazol-6-yl]butanamide;dihydrochloride
CID 155214434
3-methyl-N-(1-methylindazol-6-yl)butanamide
CID 110460673
2-amino-5-methyl-N-(1-methylindazol-6-yl)benzamide
CID 110485992

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).