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

C18H18F2N4O2 — CID 2168938

IUPAC7-(difluoromethyl)-N-[2-(2-methoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cnn2c(C(F)F)cc(C)nc12
InChIInChI=1S/C18H18F2N4O2/c1-11-9-14(16(19)20)24-17(23-11)13(10-22-24)18(25)21-8-7-12-5-3-4-6-15(12)26-2/h3-6,9-10,16H,7-8H2,1-2H3,(H,21,25)
InChIKeyOBFSNHJYUCRCPF-UHFFFAOYSA-N
MW360.36 g/mol
LogP2.96
Rot. Bonds6

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

7-(difluoromethyl)-N-[2-(2-methoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 2168938) has the molecular formula C18H18F2N4O2 and a molecular weight of 360.36 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-[2-(2-methoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-[2-(2-methoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID2168938
Molecular FormulaC18H18F2N4O2
Molecular Weight360.36 g/mol
Exact Mass360.14
IUPAC Name7-(difluoromethyl)-N-[2-(2-methoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cnn2c(C(F)F)cc(C)nc12
InChIInChI=1S/C18H18F2N4O2/c1-11-9-14(16(19)20)24-17(23-11)13(10-22-24)18(25)21-8-7-12-5-3-4-6-15(12)26-2/h3-6,9-10,16H,7-8H2,1-2H3,(H,21,25)
InChIKeyOBFSNHJYUCRCPF-UHFFFAOYSA-N
XLogP2.96
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 52.96
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-(2-methoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-[2-(2-methoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 2168938) is 7-(difluoromethyl)-N-[2-(2-methoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-[2-(2-methoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-[2-(2-methoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccccc1CCNC(=O)c1cnn2c(C(F)F)cc(C)nc12.
What is the InChIKey of 7-(difluoromethyl)-N-[2-(2-methoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OBFSNHJYUCRCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O2/c1-11-9-14(16(19)20)24-17(23-11)13(10-22-24)18(25)21-8-7-12-5-3-4-6-15(12)26-2/h3-6,9-10,16H,7-8H2,1-2H3,(H,21,25).
What are the key properties of 7-(difluoromethyl)-N-[2-(2-methoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-N-[2-(2-methoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 360.36 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-[2-(2-methoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 2168938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).