1-[(2,6-dichlorophenyl)methyl]-3-(pyrrolidin-1-ylmethyl)indazol-6-amine

C19H20Cl2N4 — CID 10499688

IUPAC1-[(2,6-dichlorophenyl)methyl]-3-(pyrrolidin-1-ylmethyl)indazol-6-amine
SMILESNc1ccc2c(CN3CCCC3)nn(Cc3c(Cl)cccc3Cl)c2c1
InChIInChI=1S/C19H20Cl2N4/c20-16-4-3-5-17(21)15(16)11-25-19-10-13(22)6-7-14(19)18(23-25)12-24-8-1-2-9-24/h3-7,10H,1-2,8-9,11-12,22H2
InChIKeyRPIVQHHCHQAMGO-UHFFFAOYSA-N
MW375.30 g/mol
LogP4.57
Rot. Bonds4

About 1-[(2,6-dichlorophenyl)methyl]-3-(pyrrolidin-1-ylmethyl)indazol-6-amine

1-[(2,6-dichlorophenyl)methyl]-3-(pyrrolidin-1-ylmethyl)indazol-6-amine (PubChem CID 10499688) has the molecular formula C19H20Cl2N4 and a molecular weight of 375.30 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-3-(pyrrolidin-1-ylmethyl)indazol-6-amine.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-3-(pyrrolidin-1-ylmethyl)indazol-6-amine
PubChem CID10499688
Molecular FormulaC19H20Cl2N4
Molecular Weight375.30 g/mol
Exact Mass374.11
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-3-(pyrrolidin-1-ylmethyl)indazol-6-amine
SMILESNc1ccc2c(CN3CCCC3)nn(Cc3c(Cl)cccc3Cl)c2c1
InChIInChI=1S/C19H20Cl2N4/c20-16-4-3-5-17(21)15(16)11-25-19-10-13(22)6-7-14(19)18(23-25)12-24-8-1-2-9-24/h3-7,10H,1-2,8-9,11-12,22H2
InChIKeyRPIVQHHCHQAMGO-UHFFFAOYSA-N
XLogP4.57
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(1-(2-chlorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166059
5-(1-(3,5-dichlorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166867
2,6-Dichloro-4-(9-oxy-1,2-dihydro-3,9,9a-triaza-fluoren-4-yl)-phenylamine
CID 24979613
2,6-Bis(chloranyl)-4-(8-nitro-6-oxidanidyl-3,4-dihydropyrazino[1,2-b]indazol-6-ium-1-yl)aniline
CID 24979714
1-[(4-chloro-1-methyl-1H-indazol-3-yl)methyl]azepan-3-amine
CID 70709825
1-(3-Methyl-1-phenylindazol-6-yl)pyrrolidin-3-amine
CID 58483574
2,6-Dichloro-4-(3,4-dihydropyrazino[1,2-b]indazol-1-yl)aniline
CID 24979614
2,6-Dichloro-4-(7-trifluoromethyl-1,2-dihydro-3,9,9a-triaza-fluoren-4-yl)-phenylamine
CID 24979711
4-(4-Chloro-phenyl)-1,2-dihydro-3,9,9a-triaza-fluorene
CID 24982222
2,6-Dichloro-4-(7-nitro-1,2-dihydro-3,9,9a-triaza-fluoren-4-yl)-phenylamine
CID 25162961
1-[(2,4-dichlorophenyl)methyl]-3-(2H-tetrazol-5-yl)indazole
CID 12312261
N-[(4-chlorophenyl)methyl]-1,3-dimethylindazol-6-amine
CID 59514208

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-3-(pyrrolidin-1-ylmethyl)indazol-6-amine?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-3-(pyrrolidin-1-ylmethyl)indazol-6-amine (CID 10499688) is 1-[(2,6-dichlorophenyl)methyl]-3-(pyrrolidin-1-ylmethyl)indazol-6-amine.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-3-(pyrrolidin-1-ylmethyl)indazol-6-amine?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-3-(pyrrolidin-1-ylmethyl)indazol-6-amine is Nc1ccc2c(CN3CCCC3)nn(Cc3c(Cl)cccc3Cl)c2c1.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-3-(pyrrolidin-1-ylmethyl)indazol-6-amine?
The InChIKey is RPIVQHHCHQAMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4/c20-16-4-3-5-17(21)15(16)11-25-19-10-13(22)6-7-14(19)18(23-25)12-24-8-1-2-9-24/h3-7,10H,1-2,8-9,11-12,22H2.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-3-(pyrrolidin-1-ylmethyl)indazol-6-amine?
1-[(2,6-dichlorophenyl)methyl]-3-(pyrrolidin-1-ylmethyl)indazol-6-amine has a molecular weight of 375.30 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-3-(pyrrolidin-1-ylmethyl)indazol-6-amine is sourced from PubChem (CID 10499688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).