N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyrazol-1-ylpropanamide

C21H24FN5O — CID 45175775

IUPACN-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyrazol-1-ylpropanamide
SMILESCC1(C)Cc2c(cnn2-c2cccc(F)c2)C(NC(=O)CCn2cccn2)C1
InChIInChI=1S/C21H24FN5O/c1-21(2)12-18(25-20(28)7-10-26-9-4-8-23-26)17-14-24-27(19(17)13-21)16-6-3-5-15(22)11-16/h3-6,8-9,11,14,18H,7,10,12-13H2,1-2H3,(H,25,28)
InChIKeyLHEZIKUULLAGLS-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.43
Rot. Bonds5

About N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyrazol-1-ylpropanamide

N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyrazol-1-ylpropanamide (PubChem CID 45175775) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyrazol-1-ylpropanamide
PubChem CID45175775
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC NameN-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyrazol-1-ylpropanamide
SMILESCC1(C)Cc2c(cnn2-c2cccc(F)c2)C(NC(=O)CCn2cccn2)C1
InChIInChI=1S/C21H24FN5O/c1-21(2)12-18(25-20(28)7-10-26-9-4-8-23-26)17-14-24-27(19(17)13-21)16-6-3-5-15(22)11-16/h3-6,8-9,11,14,18H,7,10,12-13H2,1-2H3,(H,25,28)
InChIKeyLHEZIKUULLAGLS-UHFFFAOYSA-N
XLogP3.43
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4R)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 26321368
N-[(4S)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 26321370
N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(methylamino)acetamide;hydrochloride
CID 154898311
2-(1,3-benzodioxol-5-yl)-N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide
CID 45216508
N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 24791444
N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]quinoxaline-5-carboxamide
CID 45214218
2-(3-chloro-6-oxopyridazin-1-yl)-N-[(4S)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide
CID 42509767
N-[(4R)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-1-oxidopyridin-1-ium-3-carboxamide
CID 42213796
N-[(4S)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 97117627
N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 72857429
2-ethyl-N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazole-3-carboxamide
CID 24817234
N-[(4S)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 97141764

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyrazol-1-ylpropanamide (CID 45175775) is N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyrazol-1-ylpropanamide is CC1(C)Cc2c(cnn2-c2cccc(F)c2)C(NC(=O)CCn2cccn2)C1.
What is the InChIKey of N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyrazol-1-ylpropanamide?
The InChIKey is LHEZIKUULLAGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-21(2)12-18(25-20(28)7-10-26-9-4-8-23-26)17-14-24-27(19(17)13-21)16-6-3-5-15(22)11-16/h3-6,8-9,11,14,18H,7,10,12-13H2,1-2H3,(H,25,28).
What are the key properties of N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyrazol-1-ylpropanamide?
N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyrazol-1-ylpropanamide has a molecular weight of 381.46 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 45175775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).