5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)-N,3-dimethylpyrazole-4-carboxamide

C17H14Cl2FN3OS — CID 55360982

IUPAC5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)-N,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C17H14Cl2FN3OS/c1-10-15(17(24)22(2)9-13-7-8-14(18)25-13)16(19)23(21-10)12-5-3-11(20)4-6-12/h3-8H,9H2,1-2H3
InChIKeyQCOOTORJYWTNSZ-UHFFFAOYSA-N
MW398.29 g/mol
LogP4.96
Rot. Bonds4

About 5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)-N,3-dimethylpyrazole-4-carboxamide

5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)-N,3-dimethylpyrazole-4-carboxamide (PubChem CID 55360982) has the molecular formula C17H14Cl2FN3OS and a molecular weight of 398.29 g/mol. Its IUPAC name is 5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)-N,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)-N,3-dimethylpyrazole-4-carboxamide
PubChem CID55360982
Molecular FormulaC17H14Cl2FN3OS
Molecular Weight398.29 g/mol
Exact Mass397.02
IUPAC Name5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)-N,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C17H14Cl2FN3OS/c1-10-15(17(24)22(2)9-13-7-8-14(18)25-13)16(19)23(21-10)12-5-3-11(20)4-6-12/h3-8H,9H2,1-2H3
InChIKeyQCOOTORJYWTNSZ-UHFFFAOYSA-N
XLogP4.96
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.29
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)-N,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)-N,3-dimethylpyrazole-4-carboxamide (CID 55360982) is 5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)-N,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)-N,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)-N,3-dimethylpyrazole-4-carboxamide is Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N(C)Cc1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)-N,3-dimethylpyrazole-4-carboxamide?
The InChIKey is QCOOTORJYWTNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2FN3OS/c1-10-15(17(24)22(2)9-13-7-8-14(18)25-13)16(19)23(21-10)12-5-3-11(20)4-6-12/h3-8H,9H2,1-2H3.
What are the key properties of 5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)-N,3-dimethylpyrazole-4-carboxamide?
5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)-N,3-dimethylpyrazole-4-carboxamide has a molecular weight of 398.29 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)-N,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 55360982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).