6-(4-chloropyrazol-1-yl)-N-[(2,4-dimethoxyphenyl)methyl]-4-methylphthalazin-1-amine

C21H20ClN5O2 — CID 162682253

IUPAC6-(4-chloropyrazol-1-yl)-N-[(2,4-dimethoxyphenyl)methyl]-4-methylphthalazin-1-amine
SMILESCOc1ccc(CNc2nnc(C)c3cc(-n4cc(Cl)cn4)ccc23)c(OC)c1
InChIInChI=1S/C21H20ClN5O2/c1-13-19-8-16(27-12-15(22)11-24-27)5-7-18(19)21(26-25-13)23-10-14-4-6-17(28-2)9-20(14)29-3/h4-9,11-12H,10H2,1-3H3,(H,23,26)
InChIKeyUTDBLTZDVWNDOO-UHFFFAOYSA-N
MW409.88 g/mol
LogP4.41
Rot. Bonds6

About 6-(4-chloropyrazol-1-yl)-N-[(2,4-dimethoxyphenyl)methyl]-4-methylphthalazin-1-amine

6-(4-chloropyrazol-1-yl)-N-[(2,4-dimethoxyphenyl)methyl]-4-methylphthalazin-1-amine (PubChem CID 162682253) has the molecular formula C21H20ClN5O2 and a molecular weight of 409.88 g/mol. Its IUPAC name is 6-(4-chloropyrazol-1-yl)-N-[(2,4-dimethoxyphenyl)methyl]-4-methylphthalazin-1-amine.

Molecular Properties

Compound Name6-(4-chloropyrazol-1-yl)-N-[(2,4-dimethoxyphenyl)methyl]-4-methylphthalazin-1-amine
PubChem CID162682253
Molecular FormulaC21H20ClN5O2
Molecular Weight409.88 g/mol
Exact Mass409.13
IUPAC Name6-(4-chloropyrazol-1-yl)-N-[(2,4-dimethoxyphenyl)methyl]-4-methylphthalazin-1-amine
SMILESCOc1ccc(CNc2nnc(C)c3cc(-n4cc(Cl)cn4)ccc23)c(OC)c1
InChIInChI=1S/C21H20ClN5O2/c1-13-19-8-16(27-12-15(22)11-24-27)5-7-18(19)21(26-25-13)23-10-14-4-6-17(28-2)9-20(14)29-3/h4-9,11-12H,10H2,1-3H3,(H,23,26)
InChIKeyUTDBLTZDVWNDOO-UHFFFAOYSA-N
XLogP4.41
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.88
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-amino-3-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-4-methylphthalazin-1-amine
CID 162682500
6-[5-chloro-2-(trifluoromethoxy)phenyl]-N-[(2,4-dimethoxyphenyl)methyl]-4-methylphthalazin-1-amine
CID 162682385
6-(5-chloro-1-benzofuran-7-yl)-N-[(2,4-dimethoxyphenyl)methyl]-4-methylphthalazin-1-amine
CID 162682333
6-[5-chloro-4-methoxy-2-(trifluoromethyl)phenyl]-N-[(2,4-dimethoxyphenyl)methyl]-4-methylphthalazin-1-amine
CID 162682648
3-chloro-N-[(2,4-dimethoxyphenyl)methyl]pyridin-2-amine
CID 55189857
2-chloro-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 87481246
6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]pyridine-2,3,4-triamine
CID 154666347
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2-fluoroaniline
CID 43716456
5-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 46347959
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline
CID 775457

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloropyrazol-1-yl)-N-[(2,4-dimethoxyphenyl)methyl]-4-methylphthalazin-1-amine?
The IUPAC name of 6-(4-chloropyrazol-1-yl)-N-[(2,4-dimethoxyphenyl)methyl]-4-methylphthalazin-1-amine (CID 162682253) is 6-(4-chloropyrazol-1-yl)-N-[(2,4-dimethoxyphenyl)methyl]-4-methylphthalazin-1-amine.
What is the SMILES notation for 6-(4-chloropyrazol-1-yl)-N-[(2,4-dimethoxyphenyl)methyl]-4-methylphthalazin-1-amine?
The canonical SMILES for 6-(4-chloropyrazol-1-yl)-N-[(2,4-dimethoxyphenyl)methyl]-4-methylphthalazin-1-amine is COc1ccc(CNc2nnc(C)c3cc(-n4cc(Cl)cn4)ccc23)c(OC)c1.
What is the InChIKey of 6-(4-chloropyrazol-1-yl)-N-[(2,4-dimethoxyphenyl)methyl]-4-methylphthalazin-1-amine?
The InChIKey is UTDBLTZDVWNDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O2/c1-13-19-8-16(27-12-15(22)11-24-27)5-7-18(19)21(26-25-13)23-10-14-4-6-17(28-2)9-20(14)29-3/h4-9,11-12H,10H2,1-3H3,(H,23,26).
What are the key properties of 6-(4-chloropyrazol-1-yl)-N-[(2,4-dimethoxyphenyl)methyl]-4-methylphthalazin-1-amine?
6-(4-chloropyrazol-1-yl)-N-[(2,4-dimethoxyphenyl)methyl]-4-methylphthalazin-1-amine has a molecular weight of 409.88 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloropyrazol-1-yl)-N-[(2,4-dimethoxyphenyl)methyl]-4-methylphthalazin-1-amine is sourced from PubChem (CID 162682253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).