N-(4-butylphenyl)-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C28H25ClN4 — CID 4893914

IUPACN-(4-butylphenyl)-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCCc1ccc(Nc2cc(-c3ccccc3)nc3c(-c4ccc(Cl)cc4)cnn23)cc1
InChIInChI=1S/C28H25ClN4/c1-2-3-7-20-10-16-24(17-11-20)31-27-18-26(22-8-5-4-6-9-22)32-28-25(19-30-33(27)28)21-12-14-23(29)15-13-21/h4-6,8-19,31H,2-3,7H2,1H3
InChIKeyPDOATQSQUQETNF-UHFFFAOYSA-N
MW452.99 g/mol
LogP7.80
Rot. Bonds7

About N-(4-butylphenyl)-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

N-(4-butylphenyl)-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 4893914) has the molecular formula C28H25ClN4 and a molecular weight of 452.99 g/mol. Its IUPAC name is N-(4-butylphenyl)-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(4-butylphenyl)-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID4893914
Molecular FormulaC28H25ClN4
Molecular Weight452.99 g/mol
Exact Mass452.18
IUPAC NameN-(4-butylphenyl)-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCCc1ccc(Nc2cc(-c3ccccc3)nc3c(-c4ccc(Cl)cc4)cnn23)cc1
InChIInChI=1S/C28H25ClN4/c1-2-3-7-20-10-16-24(17-11-20)31-27-18-26(22-8-5-4-6-9-22)32-28-25(19-30-33(27)28)21-12-14-23(29)15-13-21/h4-6,8-19,31H,2-3,7H2,1H3
InChIKeyPDOATQSQUQETNF-UHFFFAOYSA-N
XLogP7.80
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.99
LogP ≤ 57.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-butylphenyl)-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine 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

N-butan-2-yl-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4894015
3-(4-chlorophenyl)-5-phenyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4893000
N-[3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
CID 4971357
3-bromo-N-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 118131950
N-(3,4-dichlorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3771010
N-(4-ethoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2045207
N-(4-fluorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3333332
5-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3746157
5-tert-butyl-N-(3,4-dichlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2036160
3,5-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 34956849
3-(4-chlorophenyl)-5-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 4975606
N-(3,4-dimethylphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4304394

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(4-butylphenyl)-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 4893914) is N-(4-butylphenyl)-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(4-butylphenyl)-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(4-butylphenyl)-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is CCCCc1ccc(Nc2cc(-c3ccccc3)nc3c(-c4ccc(Cl)cc4)cnn23)cc1.
What is the InChIKey of N-(4-butylphenyl)-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is PDOATQSQUQETNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClN4/c1-2-3-7-20-10-16-24(17-11-20)31-27-18-26(22-8-5-4-6-9-22)32-28-25(19-30-33(27)28)21-12-14-23(29)15-13-21/h4-6,8-19,31H,2-3,7H2,1H3.
What are the key properties of N-(4-butylphenyl)-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
N-(4-butylphenyl)-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 452.99 g/mol, XLogP of 7.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 4893914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).