N-(7-tert-butylpyrazolo[1,5-a]pyrimidin-3-yl)-2-(3,5-difluorophenyl)acetamide

C18H18F2N4O — CID 155524628

IUPACN-(7-tert-butylpyrazolo[1,5-a]pyrimidin-3-yl)-2-(3,5-difluorophenyl)acetamide
SMILESCC(C)(C)c1ccnc2c(NC(=O)Cc3cc(F)cc(F)c3)cnn12
InChIInChI=1S/C18H18F2N4O/c1-18(2,3)15-4-5-21-17-14(10-22-24(15)17)23-16(25)8-11-6-12(19)9-13(20)7-11/h4-7,9-10H,8H2,1-3H3,(H,23,25)
InChIKeyGZNVTRMOEFAQCI-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.49
Rot. Bonds3

About N-(7-tert-butylpyrazolo[1,5-a]pyrimidin-3-yl)-2-(3,5-difluorophenyl)acetamide

N-(7-tert-butylpyrazolo[1,5-a]pyrimidin-3-yl)-2-(3,5-difluorophenyl)acetamide (PubChem CID 155524628) has the molecular formula C18H18F2N4O and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(7-tert-butylpyrazolo[1,5-a]pyrimidin-3-yl)-2-(3,5-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-(7-tert-butylpyrazolo[1,5-a]pyrimidin-3-yl)-2-(3,5-difluorophenyl)acetamide
PubChem CID155524628
Molecular FormulaC18H18F2N4O
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC NameN-(7-tert-butylpyrazolo[1,5-a]pyrimidin-3-yl)-2-(3,5-difluorophenyl)acetamide
SMILESCC(C)(C)c1ccnc2c(NC(=O)Cc3cc(F)cc(F)c3)cnn12
InChIInChI=1S/C18H18F2N4O/c1-18(2,3)15-4-5-21-17-14(10-22-24(15)17)23-16(25)8-11-6-12(19)9-13(20)7-11/h4-7,9-10H,8H2,1-3H3,(H,23,25)
InChIKeyGZNVTRMOEFAQCI-UHFFFAOYSA-N
XLogP3.49
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7-tert-butylpyrazolo[1,5-a]pyrimidin-3-yl)-2-(3,5-difluorophenyl)acetamide?
The IUPAC name of N-(7-tert-butylpyrazolo[1,5-a]pyrimidin-3-yl)-2-(3,5-difluorophenyl)acetamide (CID 155524628) is N-(7-tert-butylpyrazolo[1,5-a]pyrimidin-3-yl)-2-(3,5-difluorophenyl)acetamide.
What is the SMILES notation for N-(7-tert-butylpyrazolo[1,5-a]pyrimidin-3-yl)-2-(3,5-difluorophenyl)acetamide?
The canonical SMILES for N-(7-tert-butylpyrazolo[1,5-a]pyrimidin-3-yl)-2-(3,5-difluorophenyl)acetamide is CC(C)(C)c1ccnc2c(NC(=O)Cc3cc(F)cc(F)c3)cnn12.
What is the InChIKey of N-(7-tert-butylpyrazolo[1,5-a]pyrimidin-3-yl)-2-(3,5-difluorophenyl)acetamide?
The InChIKey is GZNVTRMOEFAQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O/c1-18(2,3)15-4-5-21-17-14(10-22-24(15)17)23-16(25)8-11-6-12(19)9-13(20)7-11/h4-7,9-10H,8H2,1-3H3,(H,23,25).
What are the key properties of N-(7-tert-butylpyrazolo[1,5-a]pyrimidin-3-yl)-2-(3,5-difluorophenyl)acetamide?
N-(7-tert-butylpyrazolo[1,5-a]pyrimidin-3-yl)-2-(3,5-difluorophenyl)acetamide has a molecular weight of 344.37 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-tert-butylpyrazolo[1,5-a]pyrimidin-3-yl)-2-(3,5-difluorophenyl)acetamide is sourced from PubChem (CID 155524628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).