3-(4-fluorophenyl)-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]propanamide

C16H18FN3O — CID 97323769

IUPAC3-(4-fluorophenyl)-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]propanamide
SMILESO=C(CCc1ccc(F)cc1)N[C@@H]1CCCc2cn[nH]c21
InChIInChI=1S/C16H18FN3O/c17-13-7-4-11(5-8-13)6-9-15(21)19-14-3-1-2-12-10-18-20-16(12)14/h4-5,7-8,10,14H,1-3,6,9H2,(H,18,20)(H,19,21)/t14-/m1/s1
InChIKeyFVQDOEDYMHJKIF-CQSZACIVSA-N
MW287.34 g/mol
LogP2.68
Rot. Bonds4

About 3-(4-fluorophenyl)-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]propanamide

3-(4-fluorophenyl)-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]propanamide (PubChem CID 97323769) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]propanamide
PubChem CID97323769
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name3-(4-fluorophenyl)-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]propanamide
SMILESO=C(CCc1ccc(F)cc1)N[C@@H]1CCCc2cn[nH]c21
InChIInChI=1S/C16H18FN3O/c17-13-7-4-11(5-8-13)6-9-15(21)19-14-3-1-2-12-10-18-20-16(12)14/h4-5,7-8,10,14H,1-3,6,9H2,(H,18,20)(H,19,21)/t14-/m1/s1
InChIKeyFVQDOEDYMHJKIF-CQSZACIVSA-N
XLogP2.68
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]propanamide (CID 97323769) is 3-(4-fluorophenyl)-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]propanamide is O=C(CCc1ccc(F)cc1)N[C@@H]1CCCc2cn[nH]c21.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]propanamide?
The InChIKey is FVQDOEDYMHJKIF-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18FN3O/c17-13-7-4-11(5-8-13)6-9-15(21)19-14-3-1-2-12-10-18-20-16(12)14/h4-5,7-8,10,14H,1-3,6,9H2,(H,18,20)(H,19,21)/t14-/m1/s1.
What are the key properties of 3-(4-fluorophenyl)-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]propanamide?
3-(4-fluorophenyl)-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]propanamide has a molecular weight of 287.34 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]propanamide is sourced from PubChem (CID 97323769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).