N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(1,2,4-triazol-1-yl)propanamide

C20H23FN6O — CID 24791444

IUPACN-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC1(C)Cc2c(cnn2-c2ccc(F)cc2)C(NC(=O)CCn2cncn2)C1
InChIInChI=1S/C20H23FN6O/c1-20(2)9-17(25-19(28)7-8-26-13-22-12-24-26)16-11-23-27(18(16)10-20)15-5-3-14(21)4-6-15/h3-6,11-13,17H,7-10H2,1-2H3,(H,25,28)
InChIKeyWFWIINBADZNKBN-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.82
Rot. Bonds5

About N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(1,2,4-triazol-1-yl)propanamide

N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 24791444) has the molecular formula C20H23FN6O and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID24791444
Molecular FormulaC20H23FN6O
Molecular Weight382.44 g/mol
Exact Mass382.19
IUPAC NameN-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC1(C)Cc2c(cnn2-c2ccc(F)cc2)C(NC(=O)CCn2cncn2)C1
InChIInChI=1S/C20H23FN6O/c1-20(2)9-17(25-19(28)7-8-26-13-22-12-24-26)16-11-23-27(18(16)10-20)15-5-3-14(21)4-6-15/h3-6,11-13,17H,7-10H2,1-2H3,(H,25,28)
InChIKeyWFWIINBADZNKBN-UHFFFAOYSA-N
XLogP2.82
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(1,2,4-triazol-1-yl)propanamide (CID 24791444) is N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(1,2,4-triazol-1-yl)propanamide is CC1(C)Cc2c(cnn2-c2ccc(F)cc2)C(NC(=O)CCn2cncn2)C1.
What is the InChIKey of N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is WFWIINBADZNKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O/c1-20(2)9-17(25-19(28)7-8-26-13-22-12-24-26)16-11-23-27(18(16)10-20)15-5-3-14(21)4-6-15/h3-6,11-13,17H,7-10H2,1-2H3,(H,25,28).
What are the key properties of N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 382.44 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 24791444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).