N-[2-(difluoromethoxy)-5-methylphenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H14F2N4O2S — CID 19416760

IUPACN-[2-(difluoromethoxy)-5-methylphenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(OC(F)F)c(NC(=O)c2cnn3c(-c4cccs4)ccnc23)c1
InChIInChI=1S/C19H14F2N4O2S/c1-11-4-5-15(27-19(20)21)13(9-11)24-18(26)12-10-23-25-14(6-7-22-17(12)25)16-3-2-8-28-16/h2-10,19H,1H3,(H,24,26)
InChIKeyKPZNLAUFCHODNV-UHFFFAOYSA-N
MW400.41 g/mol
LogP4.62
Rot. Bonds5

About N-[2-(difluoromethoxy)-5-methylphenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-(difluoromethoxy)-5-methylphenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19416760) has the molecular formula C19H14F2N4O2S and a molecular weight of 400.41 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-5-methylphenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-5-methylphenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19416760
Molecular FormulaC19H14F2N4O2S
Molecular Weight400.41 g/mol
Exact Mass400.08
IUPAC NameN-[2-(difluoromethoxy)-5-methylphenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(OC(F)F)c(NC(=O)c2cnn3c(-c4cccs4)ccnc23)c1
InChIInChI=1S/C19H14F2N4O2S/c1-11-4-5-15(27-19(20)21)13(9-11)24-18(26)12-10-23-25-14(6-7-22-17(12)25)16-3-2-8-28-16/h2-10,19H,1H3,(H,24,26)
InChIKeyKPZNLAUFCHODNV-UHFFFAOYSA-N
XLogP4.62
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-5-methylphenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)-5-methylphenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19416760) is N-[2-(difluoromethoxy)-5-methylphenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-5-methylphenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)-5-methylphenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(OC(F)F)c(NC(=O)c2cnn3c(-c4cccs4)ccnc23)c1.
What is the InChIKey of N-[2-(difluoromethoxy)-5-methylphenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KPZNLAUFCHODNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O2S/c1-11-4-5-15(27-19(20)21)13(9-11)24-18(26)12-10-23-25-14(6-7-22-17(12)25)16-3-2-8-28-16/h2-10,19H,1H3,(H,24,26).
What are the key properties of N-[2-(difluoromethoxy)-5-methylphenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-(difluoromethoxy)-5-methylphenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 400.41 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-5-methylphenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19416760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).