N-butan-2-yl-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C22H21ClN4 — CID 4894015

IUPACN-butan-2-yl-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCC(C)Nc1cc(-c2ccccc2)nc2c(-c3ccc(Cl)cc3)cnn12
InChIInChI=1S/C22H21ClN4/c1-3-15(2)25-21-13-20(17-7-5-4-6-8-17)26-22-19(14-24-27(21)22)16-9-11-18(23)12-10-16/h4-15,25H,3H2,1-2H3
InChIKeyLZXUNMMRZUEVPJ-UHFFFAOYSA-N
MW376.89 g/mol
LogP5.93
Rot. Bonds5

About N-butan-2-yl-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

N-butan-2-yl-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 4894015) has the molecular formula C22H21ClN4 and a molecular weight of 376.89 g/mol. Its IUPAC name is N-butan-2-yl-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-butan-2-yl-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID4894015
Molecular FormulaC22H21ClN4
Molecular Weight376.89 g/mol
Exact Mass376.15
IUPAC NameN-butan-2-yl-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCC(C)Nc1cc(-c2ccccc2)nc2c(-c3ccc(Cl)cc3)cnn12
InChIInChI=1S/C22H21ClN4/c1-3-15(2)25-21-13-20(17-7-5-4-6-8-17)26-22-19(14-24-27(21)22)16-9-11-18(23)12-10-16/h4-15,25H,3H2,1-2H3
InChIKeyLZXUNMMRZUEVPJ-UHFFFAOYSA-N
XLogP5.93
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.89
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-5-phenyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4893000
3,5-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 34956849
N-[3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
CID 4971357
N-(4-butylphenyl)-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4893914
3-(4-chlorophenyl)-5-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 4975606
N-[(2S)-butan-2-yl]-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 34956966
CID 89230947
CID 89230947
3-butan-2-yl-7-chloro-5-phenylpyrazolo[1,5-a]pyrimidine
CID 142869856
N-butan-2-yl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4071577
methyl 4-[7-[2-(2-hydroxyethoxy)ethylamino]-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]benzoate
CID 177044933
CID 89376705
CID 89376705
5-methyl-N-(3-methylbutyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 5183680

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-butan-2-yl-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 4894015) is N-butan-2-yl-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-butan-2-yl-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-butan-2-yl-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is CCC(C)Nc1cc(-c2ccccc2)nc2c(-c3ccc(Cl)cc3)cnn12.
What is the InChIKey of N-butan-2-yl-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LZXUNMMRZUEVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4/c1-3-15(2)25-21-13-20(17-7-5-4-6-8-17)26-22-19(14-24-27(21)22)16-9-11-18(23)12-10-16/h4-15,25H,3H2,1-2H3.
What are the key properties of N-butan-2-yl-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
N-butan-2-yl-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 376.89 g/mol, XLogP of 5.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 4894015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).