4,5-dibromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide

C15H10Br2FN3OS — CID 19404881

IUPAC4,5-dibromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ccn(Cc2cccc(F)c2)n1)c1cc(Br)c(Br)s1
InChIInChI=1S/C15H10Br2FN3OS/c16-11-7-12(23-14(11)17)15(22)19-13-4-5-21(20-13)8-9-2-1-3-10(18)6-9/h1-7H,8H2,(H,19,20,22)
InChIKeySESABTMQEQQIFU-UHFFFAOYSA-N
MW459.14 g/mol
LogP4.91
Rot. Bonds4

About 4,5-dibromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide

4,5-dibromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide (PubChem CID 19404881) has the molecular formula C15H10Br2FN3OS and a molecular weight of 459.14 g/mol. Its IUPAC name is 4,5-dibromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide
PubChem CID19404881
Molecular FormulaC15H10Br2FN3OS
Molecular Weight459.14 g/mol
Exact Mass456.89
IUPAC Name4,5-dibromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ccn(Cc2cccc(F)c2)n1)c1cc(Br)c(Br)s1
InChIInChI=1S/C15H10Br2FN3OS/c16-11-7-12(23-14(11)17)15(22)19-13-4-5-21(20-13)8-9-2-1-3-10(18)6-9/h1-7H,8H2,(H,19,20,22)
InChIKeySESABTMQEQQIFU-UHFFFAOYSA-N
XLogP4.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.14
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dibromo-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide
CID 19284580
3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19565719
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 19407415
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]butanamide
CID 19404982
3-cyano-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19404955
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-2-methylfuran-3-carboxamide
CID 35274293
2-(4-bromo-5-methylpyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19535553
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-iodo-1H-pyrazole-5-carboxamide
CID 19479975
4-chloro-1-ethyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19263447
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 19407437
3-(4-chloropyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19539633
5-chloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxybenzamide
CID 19404949

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide (CID 19404881) is 4,5-dibromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide is O=C(Nc1ccn(Cc2cccc(F)c2)n1)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide?
The InChIKey is SESABTMQEQQIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2FN3OS/c16-11-7-12(23-14(11)17)15(22)19-13-4-5-21(20-13)8-9-2-1-3-10(18)6-9/h1-7H,8H2,(H,19,20,22).
What are the key properties of 4,5-dibromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide?
4,5-dibromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide has a molecular weight of 459.14 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 19404881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).