3-bromo-N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]furan-2-carboxamide

C15H11BrClN3O2 — CID 97157900

IUPAC3-bromo-N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]furan-2-carboxamide
SMILESCc1cn(-c2ccccc2Cl)nc1NC(=O)c1occc1Br
InChIInChI=1S/C15H11BrClN3O2/c1-9-8-20(12-5-3-2-4-11(12)17)19-14(9)18-15(21)13-10(16)6-7-22-13/h2-8H,1H3,(H,18,19,21)
InChIKeyHODJLQMLVVPGIH-UHFFFAOYSA-N
MW380.63 g/mol
LogP4.44
Rot. Bonds3

About 3-bromo-N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]furan-2-carboxamide

3-bromo-N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]furan-2-carboxamide (PubChem CID 97157900) has the molecular formula C15H11BrClN3O2 and a molecular weight of 380.63 g/mol. Its IUPAC name is 3-bromo-N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]furan-2-carboxamide
PubChem CID97157900
Molecular FormulaC15H11BrClN3O2
Molecular Weight380.63 g/mol
Exact Mass378.97
IUPAC Name3-bromo-N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]furan-2-carboxamide
SMILESCc1cn(-c2ccccc2Cl)nc1NC(=O)c1occc1Br
InChIInChI=1S/C15H11BrClN3O2/c1-9-8-20(12-5-3-2-4-11(12)17)19-14(9)18-15(21)13-10(16)6-7-22-13/h2-8H,1H3,(H,18,19,21)
InChIKeyHODJLQMLVVPGIH-UHFFFAOYSA-N
XLogP4.44
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.63
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-4-methoxypyridine-2-carboxamide
CID 97157903
N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-5-[(dimethylamino)methyl]-1H-pyrrole-2-carboxamide
CID 166361838
N-[1-(2-bromophenyl)pyrazol-4-yl]-3-methylfuran-2-carboxamide
CID 99700244
3-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-1-[4-(hydroxymethyl)cyclohexyl]-1-methylurea
CID 126769236
3-bromo-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)furan-2-carboxamide
CID 99818350
1-(2-chlorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-4-methylpyrazole-3-carboxamide
CID 97331187
(3-bromofuran-2-yl)-(2-chlorophenyl)methanone
CID 63943016
2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]amino]-3-methylbutanoic acid
CID 120513335
3-methyl-N-(3-piperidin-1-yl-2-pyridinyl)furan-2-carboxamide
CID 86815365
N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide
CID 95619997
1-[1-(2-chlorophenyl)-3-methylpyrazol-4-yl]propan-2-one
CID 116817835
N-[1-(2-chlorophenyl)pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 56782243

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]furan-2-carboxamide?
The IUPAC name of 3-bromo-N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]furan-2-carboxamide (CID 97157900) is 3-bromo-N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]furan-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]furan-2-carboxamide?
The canonical SMILES for 3-bromo-N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]furan-2-carboxamide is Cc1cn(-c2ccccc2Cl)nc1NC(=O)c1occc1Br.
What is the InChIKey of 3-bromo-N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]furan-2-carboxamide?
The InChIKey is HODJLQMLVVPGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClN3O2/c1-9-8-20(12-5-3-2-4-11(12)17)19-14(9)18-15(21)13-10(16)6-7-22-13/h2-8H,1H3,(H,18,19,21).
What are the key properties of 3-bromo-N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]furan-2-carboxamide?
3-bromo-N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]furan-2-carboxamide has a molecular weight of 380.63 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 97157900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).