7-(difluoromethyl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H16F2N4O2 — CID 975142

IUPAC7-(difluoromethyl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnn2c(C(F)F)cc(C)nc12
InChIInChI=1S/C17H16F2N4O2/c1-10-7-13(15(18)19)23-16(22-10)12(9-21-23)17(24)20-8-11-5-3-4-6-14(11)25-2/h3-7,9,15H,8H2,1-2H3,(H,20,24)
InChIKeyMZDLFNLFZRZLEC-UHFFFAOYSA-N
MW346.34 g/mol
LogP2.91
Rot. Bonds5

About 7-(difluoromethyl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 975142) has the molecular formula C17H16F2N4O2 and a molecular weight of 346.34 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID975142
Molecular FormulaC17H16F2N4O2
Molecular Weight346.34 g/mol
Exact Mass346.12
IUPAC Name7-(difluoromethyl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnn2c(C(F)F)cc(C)nc12
InChIInChI=1S/C17H16F2N4O2/c1-10-7-13(15(18)19)23-16(22-10)12(9-21-23)17(24)20-8-11-5-3-4-6-14(11)25-2/h3-7,9,15H,8H2,1-2H3,(H,20,24)
InChIKeyMZDLFNLFZRZLEC-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-[(2-methoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 975142) is 7-(difluoromethyl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccccc1CNC(=O)c1cnn2c(C(F)F)cc(C)nc12.
What is the InChIKey of 7-(difluoromethyl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MZDLFNLFZRZLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O2/c1-10-7-13(15(18)19)23-16(22-10)12(9-21-23)17(24)20-8-11-5-3-4-6-14(11)25-2/h3-7,9,15H,8H2,1-2H3,(H,20,24).
What are the key properties of 7-(difluoromethyl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-N-[(2-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-[(2-methoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 975142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).