6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-N-propylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H20ClFN4O — CID 4130186

IUPAC6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-N-propylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCNC(=O)c1cnn2c(C)c(Cc3c(F)cccc3Cl)c(C)nc12
InChIInChI=1S/C19H20ClFN4O/c1-4-8-22-19(26)15-10-23-25-12(3)13(11(2)24-18(15)25)9-14-16(20)6-5-7-17(14)21/h5-7,10H,4,8-9H2,1-3H3,(H,22,26)
InChIKeyYYFHJMNYYFMOOC-UHFFFAOYSA-N
MW374.85 g/mol
LogP3.87
Rot. Bonds5

About 6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-N-propylpyrazolo[1,5-a]pyrimidine-3-carboxamide

6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-N-propylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4130186) has the molecular formula C19H20ClFN4O and a molecular weight of 374.85 g/mol. Its IUPAC name is 6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-N-propylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-N-propylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4130186
Molecular FormulaC19H20ClFN4O
Molecular Weight374.85 g/mol
Exact Mass374.13
IUPAC Name6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-N-propylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCNC(=O)c1cnn2c(C)c(Cc3c(F)cccc3Cl)c(C)nc12
InChIInChI=1S/C19H20ClFN4O/c1-4-8-22-19(26)15-10-23-25-12(3)13(11(2)24-18(15)25)9-14-16(20)6-5-7-17(14)21/h5-7,10H,4,8-9H2,1-3H3,(H,22,26)
InChIKeyYYFHJMNYYFMOOC-UHFFFAOYSA-N
XLogP3.87
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-N-propylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-N-propylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4130186) is 6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-N-propylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-N-propylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-N-propylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCCNC(=O)c1cnn2c(C)c(Cc3c(F)cccc3Cl)c(C)nc12.
What is the InChIKey of 6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-N-propylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YYFHJMNYYFMOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN4O/c1-4-8-22-19(26)15-10-23-25-12(3)13(11(2)24-18(15)25)9-14-16(20)6-5-7-17(14)21/h5-7,10H,4,8-9H2,1-3H3,(H,22,26).
What are the key properties of 6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-N-propylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-N-propylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 374.85 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-N-propylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4130186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).