4-tert-butyl-N-[7-[(3-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide

C25H27N5O — CID 67064340

IUPAC4-tert-butyl-N-[7-[(3-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide
SMILESCc1cccc(CNc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)nc3ccnn23)c1
InChIInChI=1S/C25H27N5O/c1-17-6-5-7-18(14-17)16-26-23-15-21(28-22-12-13-27-30(22)23)29-24(31)19-8-10-20(11-9-19)25(2,3)4/h5-15,26H,16H2,1-4H3,(H,28,29,31)
InChIKeyGNSFWIXOFYFNQH-UHFFFAOYSA-N
MW413.53 g/mol
LogP5.20
Rot. Bonds5

About 4-tert-butyl-N-[7-[(3-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide

4-tert-butyl-N-[7-[(3-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide (PubChem CID 67064340) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is 4-tert-butyl-N-[7-[(3-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[7-[(3-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide
PubChem CID67064340
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC Name4-tert-butyl-N-[7-[(3-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide
SMILESCc1cccc(CNc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)nc3ccnn23)c1
InChIInChI=1S/C25H27N5O/c1-17-6-5-7-18(14-17)16-26-23-15-21(28-22-12-13-27-30(22)23)29-24(31)19-8-10-20(11-9-19)25(2,3)4/h5-15,26H,16H2,1-4H3,(H,28,29,31)
InChIKeyGNSFWIXOFYFNQH-UHFFFAOYSA-N
XLogP5.20
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.53
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[7-(benzylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(4-tert-butylphenyl)ethanone
CID 58206993
7-methyl-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110850843
4-methyl-N-[4-[(3-methylphenyl)methylamino]phenyl]benzamide
CID 112982081
methyl (2S)-2-[[5-[(4-tert-butylbenzoyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-(1H-imidazol-5-yl)propanoate
CID 67064589
4-tert-butyl-N-[7-[3-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide
CID 70961385
1-(4-tert-butylphenyl)-2-[7-[(4-methoxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone
CID 58207266
4-tert-butyl-N-[5-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59175370
3-methyl-N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
CID 67064544
4-tert-butyl-N-[7-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzamide
CID 67064309
7-(dimethylamino)-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53171784
4-tert-butyl-N-(5-methylimidazo[1,2-a]pyridin-2-yl)benzamide;hydrochloride
CID 68661288
3-[(3-methylphenyl)methoxy]-N-pyrazolo[1,5-a]pyrimidin-7-ylbenzamide
CID 56573902

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[7-[(3-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[7-[(3-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide (CID 67064340) is 4-tert-butyl-N-[7-[(3-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[7-[(3-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[7-[(3-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide is Cc1cccc(CNc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)nc3ccnn23)c1.
What is the InChIKey of 4-tert-butyl-N-[7-[(3-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide?
The InChIKey is GNSFWIXOFYFNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c1-17-6-5-7-18(14-17)16-26-23-15-21(28-22-12-13-27-30(22)23)29-24(31)19-8-10-20(11-9-19)25(2,3)4/h5-15,26H,16H2,1-4H3,(H,28,29,31).
What are the key properties of 4-tert-butyl-N-[7-[(3-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide?
4-tert-butyl-N-[7-[(3-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide has a molecular weight of 413.53 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[7-[(3-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide is sourced from PubChem (CID 67064340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).