N-[(4-aminophenyl)methyl]-5-(2-chlorophenyl)-3-ethenylpyrazolo[1,5-a]pyrimidin-7-amine

C21H18ClN5 — CID 88986606

IUPACN-[(4-aminophenyl)methyl]-5-(2-chlorophenyl)-3-ethenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESC=Cc1cnn2c(NCc3ccc(N)cc3)cc(-c3ccccc3Cl)nc12
InChIInChI=1S/C21H18ClN5/c1-2-15-13-25-27-20(24-12-14-7-9-16(23)10-8-14)11-19(26-21(15)27)17-5-3-4-6-18(17)22/h2-11,13,24H,1,12,23H2
InChIKeyFUXDADYDZKSXOO-UHFFFAOYSA-N
MW375.86 g/mol
LogP4.89
Rot. Bonds5

About N-[(4-aminophenyl)methyl]-5-(2-chlorophenyl)-3-ethenylpyrazolo[1,5-a]pyrimidin-7-amine

N-[(4-aminophenyl)methyl]-5-(2-chlorophenyl)-3-ethenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 88986606) has the molecular formula C21H18ClN5 and a molecular weight of 375.86 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-5-(2-chlorophenyl)-3-ethenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-5-(2-chlorophenyl)-3-ethenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID88986606
Molecular FormulaC21H18ClN5
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC NameN-[(4-aminophenyl)methyl]-5-(2-chlorophenyl)-3-ethenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESC=Cc1cnn2c(NCc3ccc(N)cc3)cc(-c3ccccc3Cl)nc12
InChIInChI=1S/C21H18ClN5/c1-2-15-13-25-27-20(24-12-14-7-9-16(23)10-8-14)11-19(26-21(15)27)17-5-3-4-6-18(17)22/h2-11,13,24H,1,12,23H2
InChIKeyFUXDADYDZKSXOO-UHFFFAOYSA-N
XLogP4.89
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminophenyl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane
CID 142871130
4-[[3-[[5-(2-chlorophenyl)-3-ethenylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl-methylamino]methyl]phenol
CID 89056006
5-(2-chlorophenyl)-3-ethenyl-N-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 89055812
N-[[4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methyl]acetamide
CID 21068332
N-[[4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methyl]-2-chlorobenzenesulfonamide
CID 21068263
N-[[4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methyl]cyclopropanecarboxamide
CID 21068340
CID 89055259
CID 89055259
3-bromo-5-(2-chlorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066924
N'-[5-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
CID 70806611
N-[[4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methyl]-3,5-difluorobenzenesulfonamide
CID 21068292
N-[[4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methyl]cycloheptanecarboxamide
CID 21068337
N-[4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]-2,2-diphenylacetamide
CID 21068149

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-5-(2-chlorophenyl)-3-ethenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(4-aminophenyl)methyl]-5-(2-chlorophenyl)-3-ethenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 88986606) is N-[(4-aminophenyl)methyl]-5-(2-chlorophenyl)-3-ethenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-5-(2-chlorophenyl)-3-ethenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(4-aminophenyl)methyl]-5-(2-chlorophenyl)-3-ethenylpyrazolo[1,5-a]pyrimidin-7-amine is C=Cc1cnn2c(NCc3ccc(N)cc3)cc(-c3ccccc3Cl)nc12.
What is the InChIKey of N-[(4-aminophenyl)methyl]-5-(2-chlorophenyl)-3-ethenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FUXDADYDZKSXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5/c1-2-15-13-25-27-20(24-12-14-7-9-16(23)10-8-14)11-19(26-21(15)27)17-5-3-4-6-18(17)22/h2-11,13,24H,1,12,23H2.
What are the key properties of N-[(4-aminophenyl)methyl]-5-(2-chlorophenyl)-3-ethenylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[(4-aminophenyl)methyl]-5-(2-chlorophenyl)-3-ethenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 375.86 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-5-(2-chlorophenyl)-3-ethenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 88986606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).