2-(2-chloro-4-methoxyphenyl)-7-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine

C18H22ClN5O — CID 69440634

IUPAC2-(2-chloro-4-methoxyphenyl)-7-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESCCC(CC)Nc1cc(N)nc2cc(-c3ccc(OC)cc3Cl)nn12
InChIInChI=1S/C18H22ClN5O/c1-4-11(5-2)21-18-10-16(20)22-17-9-15(23-24(17)18)13-7-6-12(25-3)8-14(13)19/h6-11,21H,4-5H2,1-3H3,(H2,20,22)
InChIKeyCXUMEQWQMVEKMV-UHFFFAOYSA-N
MW359.86 g/mol
LogP4.24
Rot. Bonds6

About 2-(2-chloro-4-methoxyphenyl)-7-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine

2-(2-chloro-4-methoxyphenyl)-7-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine (PubChem CID 69440634) has the molecular formula C18H22ClN5O and a molecular weight of 359.86 g/mol. Its IUPAC name is 2-(2-chloro-4-methoxyphenyl)-7-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name2-(2-chloro-4-methoxyphenyl)-7-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine
PubChem CID69440634
Molecular FormulaC18H22ClN5O
Molecular Weight359.86 g/mol
Exact Mass359.15
IUPAC Name2-(2-chloro-4-methoxyphenyl)-7-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESCCC(CC)Nc1cc(N)nc2cc(-c3ccc(OC)cc3Cl)nn12
InChIInChI=1S/C18H22ClN5O/c1-4-11(5-2)21-18-10-16(20)22-17-9-15(23-24(17)18)13-7-6-12(25-3)8-14(13)19/h6-11,21H,4-5H2,1-3H3,(H2,20,22)
InChIKeyCXUMEQWQMVEKMV-UHFFFAOYSA-N
XLogP4.24
TPSA77.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2-chloro-4-methoxyphenyl)-7-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chloro-4-methoxyphenyl)-7-N-[(2R)-1-methoxybutan-2-yl]-6-methylpyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 69440633
5-N-(2-chloro-4-methoxyphenyl)-7-N-pentan-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
CID 91164508
7-chloro-5-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 82269989
[5-(2-chloro-4-methoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82481633
4-(2-chloro-4-methoxyphenyl)-N-methyl-1,3-oxazol-2-amine
CID 116832520
5-(2-chloro-4-ethoxyphenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine
CID 23595016
2-[2-amino-6-(2,4-dichlorophenyl)-4-pyridinyl]-5-methoxyphenol
CID 175922121
5-(2-chloro-4-methoxyphenyl)-2-ethylimidazo[1,2-a]pyridine
CID 142507774
10-(2-chloro-4-methoxyphenyl)-11-methyl-N-pentan-3-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine;4-methylbenzenesulfonic acid
CID 23113348
1-(2-chloro-4-methoxyphenyl)-2-ethylbutan-1-amine
CID 43561758
N-butan-2-yl-2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 20895223
2-chloro-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 87084099

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methoxyphenyl)-7-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine?
The IUPAC name of 2-(2-chloro-4-methoxyphenyl)-7-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine (CID 69440634) is 2-(2-chloro-4-methoxyphenyl)-7-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine.
What is the SMILES notation for 2-(2-chloro-4-methoxyphenyl)-7-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine?
The canonical SMILES for 2-(2-chloro-4-methoxyphenyl)-7-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine is CCC(CC)Nc1cc(N)nc2cc(-c3ccc(OC)cc3Cl)nn12.
What is the InChIKey of 2-(2-chloro-4-methoxyphenyl)-7-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine?
The InChIKey is CXUMEQWQMVEKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O/c1-4-11(5-2)21-18-10-16(20)22-17-9-15(23-24(17)18)13-7-6-12(25-3)8-14(13)19/h6-11,21H,4-5H2,1-3H3,(H2,20,22).
What are the key properties of 2-(2-chloro-4-methoxyphenyl)-7-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine?
2-(2-chloro-4-methoxyphenyl)-7-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine has a molecular weight of 359.86 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methoxyphenyl)-7-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine is sourced from PubChem (CID 69440634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).