N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-phenylsulfanylpropanamide

C22H29N3OS — CID 71808416

IUPACN-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NCc1nn(C2CCCC2)c2c1CCCC2
InChIInChI=1S/C22H29N3OS/c26-22(14-15-27-18-10-2-1-3-11-18)23-16-20-19-12-6-7-13-21(19)25(24-20)17-8-4-5-9-17/h1-3,10-11,17H,4-9,12-16H2,(H,23,26)
InChIKeyPRWJTIWQQCHKEF-UHFFFAOYSA-N
MW383.56 g/mol
LogP4.68
Rot. Bonds7

About N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-phenylsulfanylpropanamide

N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-phenylsulfanylpropanamide (PubChem CID 71808416) has the molecular formula C22H29N3OS and a molecular weight of 383.56 g/mol. Its IUPAC name is N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-phenylsulfanylpropanamide
PubChem CID71808416
Molecular FormulaC22H29N3OS
Molecular Weight383.56 g/mol
Exact Mass383.20
IUPAC NameN-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NCc1nn(C2CCCC2)c2c1CCCC2
InChIInChI=1S/C22H29N3OS/c26-22(14-15-27-18-10-2-1-3-11-18)23-16-20-19-12-6-7-13-21(19)25(24-20)17-8-4-5-9-17/h1-3,10-11,17H,4-9,12-16H2,(H,23,26)
InChIKeyPRWJTIWQQCHKEF-UHFFFAOYSA-N
XLogP4.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-phenylsulfanylpropanamide (CID 71808416) is N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)NCc1nn(C2CCCC2)c2c1CCCC2.
What is the InChIKey of N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-phenylsulfanylpropanamide?
The InChIKey is PRWJTIWQQCHKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3OS/c26-22(14-15-27-18-10-2-1-3-11-18)23-16-20-19-12-6-7-13-21(19)25(24-20)17-8-4-5-9-17/h1-3,10-11,17H,4-9,12-16H2,(H,23,26).
What are the key properties of N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-phenylsulfanylpropanamide?
N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-phenylsulfanylpropanamide has a molecular weight of 383.56 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 71808416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).