2-[4-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide

C20H23ClN4OS — CID 23611612

IUPAC2-[4-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1sc(-n2nc(C)c(Cc3ccccc3Cl)c2C)nc1C
InChIInChI=1S/C20H23ClN4OS/c1-5-10-22-19(26)18-13(3)23-20(27-18)25-14(4)16(12(2)24-25)11-15-8-6-7-9-17(15)21/h6-9H,5,10-11H2,1-4H3,(H,22,26)
InChIKeyLNCMUJGKMCKZKK-UHFFFAOYSA-N
MW402.95 g/mol
LogP4.64
Rot. Bonds6

About 2-[4-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide

2-[4-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide (PubChem CID 23611612) has the molecular formula C20H23ClN4OS and a molecular weight of 402.95 g/mol. Its IUPAC name is 2-[4-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
PubChem CID23611612
Molecular FormulaC20H23ClN4OS
Molecular Weight402.95 g/mol
Exact Mass402.13
IUPAC Name2-[4-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1sc(-n2nc(C)c(Cc3ccccc3Cl)c2C)nc1C
InChIInChI=1S/C20H23ClN4OS/c1-5-10-22-19(26)18-13(3)23-20(27-18)25-14(4)16(12(2)24-25)11-15-8-6-7-9-17(15)21/h6-9H,5,10-11H2,1-4H3,(H,22,26)
InChIKeyLNCMUJGKMCKZKK-UHFFFAOYSA-N
XLogP4.64
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.95
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[4-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide (CID 23611612) is 2-[4-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[4-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[4-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide is CCCNC(=O)c1sc(-n2nc(C)c(Cc3ccccc3Cl)c2C)nc1C.
What is the InChIKey of 2-[4-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is LNCMUJGKMCKZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4OS/c1-5-10-22-19(26)18-13(3)23-20(27-18)25-14(4)16(12(2)24-25)11-15-8-6-7-9-17(15)21/h6-9H,5,10-11H2,1-4H3,(H,22,26).
What are the key properties of 2-[4-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide?
2-[4-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 402.95 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 23611612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).