5-tert-butyl-3-(4-chlorophenyl)-2-methyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine

C25H27ClN4 — CID 7740727

IUPAC5-tert-butyl-3-(4-chlorophenyl)-2-methyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nn2c(N[C@H](C)c3ccccc3)cc(C(C)(C)C)nc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C25H27ClN4/c1-16(18-9-7-6-8-10-18)27-22-15-21(25(3,4)5)28-24-23(17(2)29-30(22)24)19-11-13-20(26)14-12-19/h6-16,27H,1-5H3/t16-/m1/s1
InChIKeyYBNJXUWIYWJXMI-MRXNPFEDSA-N
MW418.97 g/mol
LogP6.83
Rot. Bonds4

About 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine

5-tert-butyl-3-(4-chlorophenyl)-2-methyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 7740727) has the molecular formula C25H27ClN4 and a molecular weight of 418.97 g/mol. Its IUPAC name is 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-tert-butyl-3-(4-chlorophenyl)-2-methyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID7740727
Molecular FormulaC25H27ClN4
Molecular Weight418.97 g/mol
Exact Mass418.19
IUPAC Name5-tert-butyl-3-(4-chlorophenyl)-2-methyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nn2c(N[C@H](C)c3ccccc3)cc(C(C)(C)C)nc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C25H27ClN4/c1-16(18-9-7-6-8-10-18)27-22-15-21(25(3,4)5)28-24-23(17(2)29-30(22)24)19-11-13-20(26)14-12-19/h6-16,27H,1-5H3/t16-/m1/s1
InChIKeyYBNJXUWIYWJXMI-MRXNPFEDSA-N
XLogP6.83
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.97
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-tert-butyl-3-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3487393
5-tert-butyl-3-(4-chlorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 3632429
3-(4-chlorophenyl)-2,5-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 5213569
5-tert-butyl-2-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3321782
5-tert-butyl-3-(4-chlorophenyl)-7-(3,5-dimethylpyrazol-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 3818168
5-methyl-3-phenyl-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 34956472
[3-(4-chlorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]hydrazine
CID 4900052
3-(4-chlorophenyl)-2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 3802120
3-(4-chlorophenyl)-2,5-dimethyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 4639362
8-(4-chlorophenyl)-7-methyl-2-(1-phenylethylsulfanyl)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 136949750
2-[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-1-(3,4-dihydroxyphenyl)ethanone
CID 3832132
N-butyl-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3815077

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 7740727) is 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1nn2c(N[C@H](C)c3ccccc3)cc(C(C)(C)C)nc2c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YBNJXUWIYWJXMI-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H27ClN4/c1-16(18-9-7-6-8-10-18)27-22-15-21(25(3,4)5)28-24-23(17(2)29-30(22)24)19-11-13-20(26)14-12-19/h6-16,27H,1-5H3/t16-/m1/s1.
What are the key properties of 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-tert-butyl-3-(4-chlorophenyl)-2-methyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 418.97 g/mol, XLogP of 6.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 7740727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).