5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-N-methyl-1,3-thiazole-2-carboxamide

C18H15ClFN5O2S — CID 134328492

IUPAC5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-N-methyl-1,3-thiazole-2-carboxamide
SMILESCNC(=O)c1ncc(-n2cc(-c3cc(C(=O)NC4CC4)c(F)cc3Cl)cn2)s1
InChIInChI=1S/C18H15ClFN5O2S/c1-21-17(27)18-22-7-15(28-18)25-8-9(6-23-25)11-4-12(14(20)5-13(11)19)16(26)24-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,21,27)(H,24,26)
InChIKeyWNFWVMDFOSSHOS-UHFFFAOYSA-N
MW419.87 g/mol
LogP3.04
Rot. Bonds5

About 5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-N-methyl-1,3-thiazole-2-carboxamide

5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-N-methyl-1,3-thiazole-2-carboxamide (PubChem CID 134328492) has the molecular formula C18H15ClFN5O2S and a molecular weight of 419.87 g/mol. Its IUPAC name is 5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-N-methyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-N-methyl-1,3-thiazole-2-carboxamide
PubChem CID134328492
Molecular FormulaC18H15ClFN5O2S
Molecular Weight419.87 g/mol
Exact Mass419.06
IUPAC Name5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-N-methyl-1,3-thiazole-2-carboxamide
SMILESCNC(=O)c1ncc(-n2cc(-c3cc(C(=O)NC4CC4)c(F)cc3Cl)cn2)s1
InChIInChI=1S/C18H15ClFN5O2S/c1-21-17(27)18-22-7-15(28-18)25-8-9(6-23-25)11-4-12(14(20)5-13(11)19)16(26)24-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,21,27)(H,24,26)
InChIKeyWNFWVMDFOSSHOS-UHFFFAOYSA-N
XLogP3.04
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-N-methyl-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-N-methyl-1,3-thiazole-2-carboxamide (CID 134328492) is 5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-N-methyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-N-methyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-N-methyl-1,3-thiazole-2-carboxamide is CNC(=O)c1ncc(-n2cc(-c3cc(C(=O)NC4CC4)c(F)cc3Cl)cn2)s1.
What is the InChIKey of 5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-N-methyl-1,3-thiazole-2-carboxamide?
The InChIKey is WNFWVMDFOSSHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN5O2S/c1-21-17(27)18-22-7-15(28-18)25-8-9(6-23-25)11-4-12(14(20)5-13(11)19)16(26)24-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,21,27)(H,24,26).
What are the key properties of 5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-N-methyl-1,3-thiazole-2-carboxamide?
5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-N-methyl-1,3-thiazole-2-carboxamide has a molecular weight of 419.87 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-N-methyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 134328492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).