7-bromo-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide

C18H12BrN3O3S — CID 39834838

IUPAC7-bromo-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide
SMILESO=C(Nc1ccnn1Cc1cccs1)c1cc(=O)c2ccc(Br)cc2o1
InChIInChI=1S/C18H12BrN3O3S/c19-11-3-4-13-14(23)9-16(25-15(13)8-11)18(24)21-17-5-6-20-22(17)10-12-2-1-7-26-12/h1-9H,10H2,(H,21,24)
InChIKeyWTXWWESQYDPPRV-UHFFFAOYSA-N
MW430.28 g/mol
LogP4.11
Rot. Bonds4

About 7-bromo-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide

7-bromo-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide (PubChem CID 39834838) has the molecular formula C18H12BrN3O3S and a molecular weight of 430.28 g/mol. Its IUPAC name is 7-bromo-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide.

Molecular Properties

Compound Name7-bromo-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide
PubChem CID39834838
Molecular FormulaC18H12BrN3O3S
Molecular Weight430.28 g/mol
Exact Mass428.98
IUPAC Name7-bromo-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide
SMILESO=C(Nc1ccnn1Cc1cccs1)c1cc(=O)c2ccc(Br)cc2o1
InChIInChI=1S/C18H12BrN3O3S/c19-11-3-4-13-14(23)9-16(25-15(13)8-11)18(24)21-17-5-6-20-22(17)10-12-2-1-7-26-12/h1-9H,10H2,(H,21,24)
InChIKeyWTXWWESQYDPPRV-UHFFFAOYSA-N
XLogP4.11
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.28
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethyl-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide
CID 35673708
3-bromo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911637
2-amino-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 121209392
2-(4-bromophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 35673635
4-methyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911642
N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6,7-dimethyl-4-oxochromene-2-carboxamide
CID 39834947
6-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-2-carboxamide
CID 53045619
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-7-bromo-4-oxochromene-2-carboxamide
CID 35575728
7-bromo-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide
CID 35576051
4-methoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911601
7-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
CID 4871288
N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6-methyl-4-oxochromene-2-carboxamide
CID 39834952

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide?
The IUPAC name of 7-bromo-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide (CID 39834838) is 7-bromo-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide.
What is the SMILES notation for 7-bromo-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide?
The canonical SMILES for 7-bromo-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide is O=C(Nc1ccnn1Cc1cccs1)c1cc(=O)c2ccc(Br)cc2o1.
What is the InChIKey of 7-bromo-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide?
The InChIKey is WTXWWESQYDPPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN3O3S/c19-11-3-4-13-14(23)9-16(25-15(13)8-11)18(24)21-17-5-6-20-22(17)10-12-2-1-7-26-12/h1-9H,10H2,(H,21,24).
What are the key properties of 7-bromo-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide?
7-bromo-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide has a molecular weight of 430.28 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide is sourced from PubChem (CID 39834838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).