5-chloro-N-[(4-phenylphenyl)methyl]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine

C21H20ClN5 — CID 177241957

IUPAC5-chloro-N-[(4-phenylphenyl)methyl]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
SMILESCC(C)c1[nH]nc2c(NCc3ccc(-c4ccccc4)cc3)nc(Cl)nc12
InChIInChI=1S/C21H20ClN5/c1-13(2)17-18-19(27-26-17)20(25-21(22)24-18)23-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,26,27)(H,23,24,25)
InChIKeyZUFUXTHHDLCFPI-UHFFFAOYSA-N
MW377.88 g/mol
LogP5.41
Rot. Bonds5

About 5-chloro-N-[(4-phenylphenyl)methyl]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine

5-chloro-N-[(4-phenylphenyl)methyl]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 177241957) has the molecular formula C21H20ClN5 and a molecular weight of 377.88 g/mol. Its IUPAC name is 5-chloro-N-[(4-phenylphenyl)methyl]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-[(4-phenylphenyl)methyl]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID177241957
Molecular FormulaC21H20ClN5
Molecular Weight377.88 g/mol
Exact Mass377.14
IUPAC Name5-chloro-N-[(4-phenylphenyl)methyl]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
SMILESCC(C)c1[nH]nc2c(NCc3ccc(-c4ccccc4)cc3)nc(Cl)nc12
InChIInChI=1S/C21H20ClN5/c1-13(2)17-18-19(27-26-17)20(25-21(22)24-18)23-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,26,27)(H,23,24,25)
InChIKeyZUFUXTHHDLCFPI-UHFFFAOYSA-N
XLogP5.41
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.88
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[(4-phenylphenyl)methyl]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine with MolForge

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Related Compounds

N-benzyl-5-methylsulfonyl-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 52951989
4,6-dichloro-N-[(4-phenylphenyl)methyl]-1,3,5-triazin-2-amine
CID 135338526
3-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]-2H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 122688235
5-[2-(methylamino)ethylsulfanyl]-3-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]-2H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 155514044
1-[[7-[[4-(furan-2-yl)phenyl]methylamino]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]-2-methylpropan-2-ol
CID 146479238
N-benzyl-2-chloro-5-propan-2-ylpyrimidin-4-amine
CID 118141132
5-(2-aminocyclohexyl)sulfanyl-3-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]-2H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 155553824
2-chloro-N-[(4-ethylphenyl)methyl]-5-phenylquinazolin-4-amine
CID 88886946
2-chloro-N-[(4-methylphenyl)methyl]-9-propan-2-ylpurin-6-amine
CID 90956369
N-benzyl-2,5-dichloroquinazolin-4-amine
CID 87550452
3-[[[5-[(2-amino-2-methylpropyl)amino]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-yl]amino]methyl]-5-chlorophenol
CID 68758027
N-benzyl-2-chloro-7-propan-2-ylpurin-6-amine
CID 82460318

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-phenylphenyl)methyl]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-[(4-phenylphenyl)methyl]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine (CID 177241957) is 5-chloro-N-[(4-phenylphenyl)methyl]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-[(4-phenylphenyl)methyl]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-[(4-phenylphenyl)methyl]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine is CC(C)c1[nH]nc2c(NCc3ccc(-c4ccccc4)cc3)nc(Cl)nc12.
What is the InChIKey of 5-chloro-N-[(4-phenylphenyl)methyl]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is ZUFUXTHHDLCFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5/c1-13(2)17-18-19(27-26-17)20(25-21(22)24-18)23-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,26,27)(H,23,24,25).
What are the key properties of 5-chloro-N-[(4-phenylphenyl)methyl]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
5-chloro-N-[(4-phenylphenyl)methyl]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 377.88 g/mol, XLogP of 5.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-phenylphenyl)methyl]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 177241957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).