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

C23H24ClN5 — CID 3632429

IUPAC5-tert-butyl-3-(4-chlorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nn2c(NCc3cccnc3)cc(C(C)(C)C)nc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H24ClN5/c1-15-21(17-7-9-18(24)10-8-17)22-27-19(23(2,3)4)12-20(29(22)28-15)26-14-16-6-5-11-25-13-16/h5-13,26H,14H2,1-4H3
InChIKeyTVNZNVFNCSFYTD-UHFFFAOYSA-N
MW405.93 g/mol
LogP5.66
Rot. Bonds4

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

5-tert-butyl-3-(4-chlorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 3632429) has the molecular formula C23H24ClN5 and a molecular weight of 405.93 g/mol. Its IUPAC name is 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-tert-butyl-3-(4-chlorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID3632429
Molecular FormulaC23H24ClN5
Molecular Weight405.93 g/mol
Exact Mass405.17
IUPAC Name5-tert-butyl-3-(4-chlorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nn2c(NCc3cccnc3)cc(C(C)(C)C)nc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H24ClN5/c1-15-21(17-7-9-18(24)10-8-17)22-27-19(23(2,3)4)12-20(29(22)28-15)26-14-16-6-5-11-25-13-16/h5-13,26H,14H2,1-4H3
InChIKeyTVNZNVFNCSFYTD-UHFFFAOYSA-N
XLogP5.66
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.93
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 7740727
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
8-(4-chlorophenyl)-7-methyl-2-(pyridin-3-ylmethylsulfanyl)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 136949765
N-butyl-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3815077
3-(4-chlorophenyl)-2,5-dimethyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 4639362
5-heptan-4-yl-2,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143441390
2,5-dimethyl-3-phenyl-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 122193193
[3-(4-chlorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]hydrazine
CID 4900052
3-(4-chlorophenyl)-N-(2,2-dimethoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4559446
5-tert-butyl-3-(2-chlorophenyl)-N-(2-methoxyethyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4870041

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 3632429) is 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1nn2c(NCc3cccnc3)cc(C(C)(C)C)nc2c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is TVNZNVFNCSFYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5/c1-15-21(17-7-9-18(24)10-8-17)22-27-19(23(2,3)4)12-20(29(22)28-15)26-14-16-6-5-11-25-13-16/h5-13,26H,14H2,1-4H3.
What are the key properties of 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-tert-butyl-3-(4-chlorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 405.93 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 3632429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).