1-(4-chlorophenyl)-5-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide

C20H23ClN4OS — CID 56557816

IUPAC1-(4-chlorophenyl)-5-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
SMILESCC(C)c1nc(CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)cs1
InChIInChI=1S/C20H23ClN4OS/c1-12(2)18-17(10-23-25(18)16-7-5-14(21)6-8-16)19(26)22-9-15-11-27-20(24-15)13(3)4/h5-8,10-13H,9H2,1-4H3,(H,22,26)
InChIKeyPMUWLEWPGPQGGI-UHFFFAOYSA-N
MW402.95 g/mol
LogP5.16
Rot. Bonds6

About 1-(4-chlorophenyl)-5-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide

1-(4-chlorophenyl)-5-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide (PubChem CID 56557816) has the molecular formula C20H23ClN4OS and a molecular weight of 402.95 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
PubChem CID56557816
Molecular FormulaC20H23ClN4OS
Molecular Weight402.95 g/mol
Exact Mass402.13
IUPAC Name1-(4-chlorophenyl)-5-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
SMILESCC(C)c1nc(CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)cs1
InChIInChI=1S/C20H23ClN4OS/c1-12(2)18-17(10-23-25(18)16-7-5-14(21)6-8-16)19(26)22-9-15-11-27-20(24-15)13(3)4/h5-8,10-13H,9H2,1-4H3,(H,22,26)
InChIKeyPMUWLEWPGPQGGI-UHFFFAOYSA-N
XLogP5.16
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.95
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-5-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide (CID 56557816) is 1-(4-chlorophenyl)-5-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-5-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-5-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide is CC(C)c1nc(CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)cs1.
What is the InChIKey of 1-(4-chlorophenyl)-5-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is PMUWLEWPGPQGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4OS/c1-12(2)18-17(10-23-25(18)16-7-5-14(21)6-8-16)19(26)22-9-15-11-27-20(24-15)13(3)4/h5-8,10-13H,9H2,1-4H3,(H,22,26).
What are the key properties of 1-(4-chlorophenyl)-5-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide?
1-(4-chlorophenyl)-5-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 402.95 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 56557816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).