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

C17H16F2N4O2 — CID 1093979

IUPAC7-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnn3c(C(F)F)cc(C)nc23)cc1
InChIInChI=1S/C17H16F2N4O2/c1-10-7-14(15(18)19)23-16(22-10)13(9-21-23)17(24)20-8-11-3-5-12(25-2)6-4-11/h3-7,9,15H,8H2,1-2H3,(H,20,24)
InChIKeyHLOIVZGWGBXORW-UHFFFAOYSA-N
MW346.34 g/mol
LogP2.91
Rot. Bonds5

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

7-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1093979) has the molecular formula C17H16F2N4O2 and a molecular weight of 346.34 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID1093979
Molecular FormulaC17H16F2N4O2
Molecular Weight346.34 g/mol
Exact Mass346.12
IUPAC Name7-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnn3c(C(F)F)cc(C)nc23)cc1
InChIInChI=1S/C17H16F2N4O2/c1-10-7-14(15(18)19)23-16(22-10)13(9-21-23)17(24)20-8-11-3-5-12(25-2)6-4-11/h3-7,9,15H,8H2,1-2H3,(H,20,24)
InChIKeyHLOIVZGWGBXORW-UHFFFAOYSA-N
XLogP2.91
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1093979) is 7-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(CNC(=O)c2cnn3c(C(F)F)cc(C)nc23)cc1.
What is the InChIKey of 7-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HLOIVZGWGBXORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O2/c1-10-7-14(15(18)19)23-16(22-10)13(9-21-23)17(24)20-8-11-3-5-12(25-2)6-4-11/h3-7,9,15H,8H2,1-2H3,(H,20,24).
What are the key properties of 7-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 346.34 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1093979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).