1-[(4-chlorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydroindazol-4-amine

C17H22ClN3 — CID 65356370

IUPAC1-[(4-chlorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCCCNC1CCCc2c1cnn2Cc1ccc(Cl)cc1
InChIInChI=1S/C17H22ClN3/c1-2-10-19-16-4-3-5-17-15(16)11-20-21(17)12-13-6-8-14(18)9-7-13/h6-9,11,16,19H,2-5,10,12H2,1H3
InChIKeyPPHAWIDRBOYKAJ-UHFFFAOYSA-N
MW303.84 g/mol
LogP3.96
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydroindazol-4-amine

1-[(4-chlorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 65356370) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID65356370
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name1-[(4-chlorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCCCNC1CCCc2c1cnn2Cc1ccc(Cl)cc1
InChIInChI=1S/C17H22ClN3/c1-2-10-19-16-4-3-5-17-15(16)11-20-21(17)12-13-6-8-14(18)9-7-13/h6-9,11,16,19H,2-5,10,12H2,1H3
InChIKeyPPHAWIDRBOYKAJ-UHFFFAOYSA-N
XLogP3.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydroindazol-4-amine (CID 65356370) is 1-[(4-chlorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydroindazol-4-amine is CCCNC1CCCc2c1cnn2Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is PPHAWIDRBOYKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-2-10-19-16-4-3-5-17-15(16)11-20-21(17)12-13-6-8-14(18)9-7-13/h6-9,11,16,19H,2-5,10,12H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydroindazol-4-amine?
1-[(4-chlorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 303.84 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 65356370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).