N-butan-2-yl-6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H23ClN4O — CID 4109354

IUPACN-butan-2-yl-6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCC(C)NC(=O)c1cnn2c(C)c(Cc3cccc(Cl)c3)c(C)nc12
InChIInChI=1S/C20H23ClN4O/c1-5-12(2)23-20(26)18-11-22-25-14(4)17(13(3)24-19(18)25)10-15-7-6-8-16(21)9-15/h6-9,11-12H,5,10H2,1-4H3,(H,23,26)
InChIKeyULTUXEXEVYTPPT-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.12
Rot. Bonds5

About N-butan-2-yl-6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-butan-2-yl-6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4109354) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is N-butan-2-yl-6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4109354
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC NameN-butan-2-yl-6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCC(C)NC(=O)c1cnn2c(C)c(Cc3cccc(Cl)c3)c(C)nc12
InChIInChI=1S/C20H23ClN4O/c1-5-12(2)23-20(26)18-11-22-25-14(4)17(13(3)24-19(18)25)10-15-7-6-8-16(21)9-15/h6-9,11-12H,5,10H2,1-4H3,(H,23,26)
InChIKeyULTUXEXEVYTPPT-UHFFFAOYSA-N
XLogP4.12
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-butan-2-yl-6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4109354) is N-butan-2-yl-6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCC(C)NC(=O)c1cnn2c(C)c(Cc3cccc(Cl)c3)c(C)nc12.
What is the InChIKey of N-butan-2-yl-6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ULTUXEXEVYTPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O/c1-5-12(2)23-20(26)18-11-22-25-14(4)17(13(3)24-19(18)25)10-15-7-6-8-16(21)9-15/h6-9,11-12H,5,10H2,1-4H3,(H,23,26).
What are the key properties of N-butan-2-yl-6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-butan-2-yl-6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 370.88 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4109354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).