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

C18H18F2N4O3 — CID 1093977

IUPAC7-(difluoromethyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnn3c(C(F)F)cc(C)nc23)cc1OC
InChIInChI=1S/C18H18F2N4O3/c1-10-6-13(16(19)20)24-17(23-10)12(9-22-24)18(25)21-8-11-4-5-14(26-2)15(7-11)27-3/h4-7,9,16H,8H2,1-3H3,(H,21,25)
InChIKeyNIJGMEXJBBRTIX-UHFFFAOYSA-N
MW376.36 g/mol
LogP2.92
Rot. Bonds6

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

7-(difluoromethyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1093977) has the molecular formula C18H18F2N4O3 and a molecular weight of 376.36 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID1093977
Molecular FormulaC18H18F2N4O3
Molecular Weight376.36 g/mol
Exact Mass376.13
IUPAC Name7-(difluoromethyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnn3c(C(F)F)cc(C)nc23)cc1OC
InChIInChI=1S/C18H18F2N4O3/c1-10-6-13(16(19)20)24-17(23-10)12(9-22-24)18(25)21-8-11-4-5-14(26-2)15(7-11)27-3/h4-7,9,16H,8H2,1-3H3,(H,21,25)
InChIKeyNIJGMEXJBBRTIX-UHFFFAOYSA-N
XLogP2.92
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1093977) is 7-(difluoromethyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(CNC(=O)c2cnn3c(C(F)F)cc(C)nc23)cc1OC.
What is the InChIKey of 7-(difluoromethyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NIJGMEXJBBRTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O3/c1-10-6-13(16(19)20)24-17(23-10)12(9-22-24)18(25)21-8-11-4-5-14(26-2)15(7-11)27-3/h4-7,9,16H,8H2,1-3H3,(H,21,25).
What are the key properties of 7-(difluoromethyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 376.36 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1093977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).