N-(cyclopropylmethyl)-1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]butan-2-amine

C22H25Cl2N3 — CID 68613723

IUPACN-(cyclopropylmethyl)-1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]butan-2-amine
SMILESCCC(Cc1c2cccc(-c3ccc(Cl)cc3Cl)c2nn1C)NCC1CC1
InChIInChI=1S/C22H25Cl2N3/c1-3-16(25-13-14-7-8-14)12-21-19-6-4-5-18(22(19)26-27(21)2)17-10-9-15(23)11-20(17)24/h4-6,9-11,14,16,25H,3,7-8,12-13H2,1-2H3
InChIKeyJDWCJESFKLSAGZ-UHFFFAOYSA-N
MW402.37 g/mol
LogP5.87
Rot. Bonds7

About N-(cyclopropylmethyl)-1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]butan-2-amine

N-(cyclopropylmethyl)-1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]butan-2-amine (PubChem CID 68613723) has the molecular formula C22H25Cl2N3 and a molecular weight of 402.37 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]butan-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]butan-2-amine
PubChem CID68613723
Molecular FormulaC22H25Cl2N3
Molecular Weight402.37 g/mol
Exact Mass401.14
IUPAC NameN-(cyclopropylmethyl)-1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]butan-2-amine
SMILESCCC(Cc1c2cccc(-c3ccc(Cl)cc3Cl)c2nn1C)NCC1CC1
InChIInChI=1S/C22H25Cl2N3/c1-3-16(25-13-14-7-8-14)12-21-19-6-4-5-18(22(19)26-27(21)2)17-10-9-15(23)11-20(17)24/h4-6,9-11,14,16,25H,3,7-8,12-13H2,1-2H3
InChIKeyJDWCJESFKLSAGZ-UHFFFAOYSA-N
XLogP5.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.37
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenyl)-7-(trifluoromethyl)-2H-indazole
CID 25137983
3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-7-(trifluoromethyl)-2H-indazole
CID 25137984
1-benzyl-3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 53324535
4-(4-Chloro-phenyl)-1,2-dihydro-3,9,9a-triaza-fluorene
CID 24982222
N-[(4-chlorophenyl)methyl]-1,3-dimethylindazol-6-amine
CID 59514208
1-[(4-Chlorophenyl)methyl]-3-methylindazole
CID 12312272
3-(4-chlorophenyl)-1-methyl-1H-indazole
CID 673303
2-(4-Chlorobenzyl)-3-(4-methylphenyl)-2H-indazole
CID 11631344
1-(2,4-Dichlorobenzyl)-3,5,6-trimethyl-1H-indazole-7-carbonitrile
CID 367589
2-(2,4-Dichlorobenzyl)-3,5,6-trimethyl-2H-indazole-7-carbonitrile
CID 367590
5-(4-chloro-1-methyl-1H-indazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 56873864
1-[(2-Chloro-4-fluorophenyl)methyl]-3-ethylindazole
CID 122176380

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]butan-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]butan-2-amine (CID 68613723) is N-(cyclopropylmethyl)-1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]butan-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]butan-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]butan-2-amine is CCC(Cc1c2cccc(-c3ccc(Cl)cc3Cl)c2nn1C)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]butan-2-amine?
The InChIKey is JDWCJESFKLSAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3/c1-3-16(25-13-14-7-8-14)12-21-19-6-4-5-18(22(19)26-27(21)2)17-10-9-15(23)11-20(17)24/h4-6,9-11,14,16,25H,3,7-8,12-13H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]butan-2-amine?
N-(cyclopropylmethyl)-1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]butan-2-amine has a molecular weight of 402.37 g/mol, XLogP of 5.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]butan-2-amine is sourced from PubChem (CID 68613723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).