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

C19H25FN4O — CID 72905767

IUPAC1-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-propylurea
SMILESCCCNC(=O)NC1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C19H25FN4O/c1-4-9-21-18(25)23-16-10-19(2,3)11-17-15(16)12-22-24(17)14-7-5-13(20)6-8-14/h5-8,12,16H,4,9-11H2,1-3H3,(H2,21,23,25)
InChIKeyKEZJIWPFXQDSLM-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.73
Rot. Bonds4

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

1-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-propylurea (PubChem CID 72905767) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-propylurea.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-propylurea
PubChem CID72905767
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name1-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-propylurea
SMILESCCCNC(=O)NC1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C19H25FN4O/c1-4-9-21-18(25)23-16-10-19(2,3)11-17-15(16)12-22-24(17)14-7-5-13(20)6-8-14/h5-8,12,16H,4,9-11H2,1-3H3,(H2,21,23,25)
InChIKeyKEZJIWPFXQDSLM-UHFFFAOYSA-N
XLogP3.73
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-propylurea?
The IUPAC name of 1-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-propylurea (CID 72905767) is 1-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-propylurea.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-propylurea?
The canonical SMILES for 1-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-propylurea is CCCNC(=O)NC1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-propylurea?
The InChIKey is KEZJIWPFXQDSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-4-9-21-18(25)23-16-10-19(2,3)11-17-15(16)12-22-24(17)14-7-5-13(20)6-8-14/h5-8,12,16H,4,9-11H2,1-3H3,(H2,21,23,25).
What are the key properties of 1-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-propylurea?
1-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-propylurea has a molecular weight of 344.43 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-propylurea is sourced from PubChem (CID 72905767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).