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

C19H14Cl2N4 — CID 3771010

IUPACN-(3,4-dichlorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc(Cl)c(Cl)c2)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C19H14Cl2N4/c1-12-9-18(24-14-7-8-16(20)17(21)10-14)25-19(23-12)15(11-22-25)13-5-3-2-4-6-13/h2-11,24H,1H3
InChIKeyJRYXPXKAGSJDRZ-UHFFFAOYSA-N
MW369.26 g/mol
LogP5.76
Rot. Bonds3

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

N-(3,4-dichlorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 3771010) has the molecular formula C19H14Cl2N4 and a molecular weight of 369.26 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID3771010
Molecular FormulaC19H14Cl2N4
Molecular Weight369.26 g/mol
Exact Mass368.06
IUPAC NameN-(3,4-dichlorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc(Cl)c(Cl)c2)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C19H14Cl2N4/c1-12-9-18(24-14-7-8-16(20)17(21)10-14)25-19(23-12)15(11-22-25)13-5-3-2-4-6-13/h2-11,24H,1H3
InChIKeyJRYXPXKAGSJDRZ-UHFFFAOYSA-N
XLogP5.76
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.26
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4304394
5-tert-butyl-N-(3,4-dichlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2036160
N-(4-fluorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3333332
N-(3-methoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 5154200
N-(4-ethoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2045207
N-(3-chlorophenyl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 46299143
5-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3746157
5-methyl-N-(3-methylbutyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 5183680
5-methyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2044964
5-methyl-N-(2-morpholin-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 665651
3-(3-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 6500069
N-(4-butylphenyl)-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4893914

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 3771010) is N-(3,4-dichlorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2ccc(Cl)c(Cl)c2)n2ncc(-c3ccccc3)c2n1.
What is the InChIKey of N-(3,4-dichlorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JRYXPXKAGSJDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N4/c1-12-9-18(24-14-7-8-16(20)17(21)10-14)25-19(23-12)15(11-22-25)13-5-3-2-4-6-13/h2-11,24H,1H3.
What are the key properties of N-(3,4-dichlorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
N-(3,4-dichlorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 369.26 g/mol, XLogP of 5.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 3771010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).