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

C17H13ClFN5O2S — CID 134328458

IUPAC5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-1,3-thiazole-2-carboxamide
SMILESNC(=O)c1ncc(-n2cc(-c3cc(C(=O)NC4CC4)c(F)cc3Cl)cn2)s1
InChIInChI=1S/C17H13ClFN5O2S/c18-12-4-13(19)11(16(26)23-9-1-2-9)3-10(12)8-5-22-24(7-8)14-6-21-17(27-14)15(20)25/h3-7,9H,1-2H2,(H2,20,25)(H,23,26)
InChIKeyQULGDFJPWGEPNZ-UHFFFAOYSA-N
MW405.84 g/mol
LogP2.78
Rot. Bonds5

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

5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-1,3-thiazole-2-carboxamide (PubChem CID 134328458) has the molecular formula C17H13ClFN5O2S and a molecular weight of 405.84 g/mol. Its IUPAC name is 5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-1,3-thiazole-2-carboxamide
PubChem CID134328458
Molecular FormulaC17H13ClFN5O2S
Molecular Weight405.84 g/mol
Exact Mass405.05
IUPAC Name5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-1,3-thiazole-2-carboxamide
SMILESNC(=O)c1ncc(-n2cc(-c3cc(C(=O)NC4CC4)c(F)cc3Cl)cn2)s1
InChIInChI=1S/C17H13ClFN5O2S/c18-12-4-13(19)11(16(26)23-9-1-2-9)3-10(12)8-5-22-24(7-8)14-6-21-17(27-14)15(20)25/h3-7,9H,1-2H2,(H2,20,25)(H,23,26)
InChIKeyQULGDFJPWGEPNZ-UHFFFAOYSA-N
XLogP2.78
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.84
LogP ≤ 52.78
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]-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-1,3-thiazole-2-carboxamide (CID 134328458) is 5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-1,3-thiazole-2-carboxamide is NC(=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]-1,3-thiazole-2-carboxamide?
The InChIKey is QULGDFJPWGEPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN5O2S/c18-12-4-13(19)11(16(26)23-9-1-2-9)3-10(12)8-5-22-24(7-8)14-6-21-17(27-14)15(20)25/h3-7,9H,1-2H2,(H2,20,25)(H,23,26).
What are the key properties of 5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-1,3-thiazole-2-carboxamide?
5-[4-[2-chloro-5-(cyclopropylcarbamoyl)-4-fluorophenyl]pyrazol-1-yl]-1,3-thiazole-2-carboxamide has a molecular weight of 405.84 g/mol, XLogP of 2.78, 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]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 134328458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).