7-(difluoromethyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(4-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H24F2N6O2 — CID 1226296

IUPAC7-(difluoromethyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(4-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1cc(CN(C)C(=O)c2cnn3c(C(F)F)cc(-c4ccc(OC)cc4)nc23)c(C)n1
InChIInChI=1S/C23H24F2N6O2/c1-5-30-13-16(14(2)28-30)12-29(3)23(32)18-11-26-31-20(21(24)25)10-19(27-22(18)31)15-6-8-17(33-4)9-7-15/h6-11,13,21H,5,12H2,1-4H3
InChIKeyFRVNEDJZGFPOOY-UHFFFAOYSA-N
MW454.48 g/mol
LogP4.14
Rot. Bonds7

About 7-(difluoromethyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(4-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(4-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1226296) has the molecular formula C23H24F2N6O2 and a molecular weight of 454.48 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(4-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(4-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID1226296
Molecular FormulaC23H24F2N6O2
Molecular Weight454.48 g/mol
Exact Mass454.19
IUPAC Name7-(difluoromethyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(4-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1cc(CN(C)C(=O)c2cnn3c(C(F)F)cc(-c4ccc(OC)cc4)nc23)c(C)n1
InChIInChI=1S/C23H24F2N6O2/c1-5-30-13-16(14(2)28-30)12-29(3)23(32)18-11-26-31-20(21(24)25)10-19(27-22(18)31)15-6-8-17(33-4)9-7-15/h6-11,13,21H,5,12H2,1-4H3
InChIKeyFRVNEDJZGFPOOY-UHFFFAOYSA-N
XLogP4.14
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(4-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(4-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1226296) is 7-(difluoromethyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(4-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(4-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(4-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCn1cc(CN(C)C(=O)c2cnn3c(C(F)F)cc(-c4ccc(OC)cc4)nc23)c(C)n1.
What is the InChIKey of 7-(difluoromethyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(4-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FRVNEDJZGFPOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N6O2/c1-5-30-13-16(14(2)28-30)12-29(3)23(32)18-11-26-31-20(21(24)25)10-19(27-22(18)31)15-6-8-17(33-4)9-7-15/h6-11,13,21H,5,12H2,1-4H3.
What are the key properties of 7-(difluoromethyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(4-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(4-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 454.48 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(4-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1226296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).